 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer00_STD_M11_def2SVPD.in
 Output=31_naproxen_conformer00_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/31_naproxen/Gau-60610.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/31_naproxen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     60614.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                29-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer00_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep 29 11:28:59 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer00_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 3.352380000000      0.081536000000     -0.094047000000
  C                                                 2.853162000000     -1.229651000000      0.086888000000
  C                                                 2.486454000000      1.151296000000     -0.114829000000
  C                                                 1.100546000000      0.960772000000      0.042252000000
  C                                                 0.590185000000     -0.359596000000      0.227036000000
  C                                                 1.505764000000     -1.433604000000      0.242412000000
  C                                                 0.178320000000      2.035716000000      0.022349000000
  C                                                -1.162617000000      1.813105000000      0.178068000000
  C                                                -1.675581000000      0.507253000000      0.370446000000
  C                                                -0.800954000000     -0.550815000000      0.386518000000
  C                                                -3.175000000000      0.316508000000      0.539158000000
  O                                                 4.675062000000      0.363691000000     -0.254438000000
  C                                                 5.607556000000     -0.703149000000     -0.244694000000
  H                                                 3.524663000000     -2.074808000000      0.103947000000
  H                                                 2.886450000000      2.147038000000     -0.255665000000
  H                                                 1.129072000000     -2.439742000000      0.380890000000
  H                                                 0.550726000000      3.042648000000     -0.120102000000
  H                                                -1.852677000000      2.647425000000      0.153954000000
  H                                                -1.168601000000     -1.561255000000      0.512106000000
  H                                                -3.627638000000      1.305010000000      0.609167000000
  C                                                -3.546747000000     -0.494005000000      1.785225000000
  C                                                -3.751553000000     -0.273210000000     -0.735630000000
  H                                                 6.583819000000     -0.246740000000     -0.388953000000
  H                                                 5.417122000000     -1.410440000000     -1.057092000000
  H                                                 5.597238000000     -1.237035000000      0.709988000000
  H                                                -3.163624000000      0.008881000000      2.673322000000
  H                                                -3.125429000000     -1.496647000000      1.749497000000
  H                                                -4.629967000000     -0.586055000000      1.879701000000
  O                                                -4.295658000000      0.357517000000     -1.603525000000
  O                                                -3.574263000000     -1.613892000000     -0.819614000000
  H                                                -3.933780000000     -1.889738000000     -1.677049000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          16          12           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           1           1           1           1
 AtZEff=   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12           1           1           1           1           1           1          16          16
 AtmWgt=  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146
 NucSpn=           0           0           1           1           1           1           1           1           0           0
 AtZEff=   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep 29 11:28:59 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        3.352380    0.081536   -0.094047
      2          6           0        2.853162   -1.229651    0.086888
      3          6           0        2.486454    1.151296   -0.114829
      4          6           0        1.100546    0.960772    0.042252
      5          6           0        0.590185   -0.359596    0.227036
      6          6           0        1.505764   -1.433604    0.242412
      7          6           0        0.178320    2.035716    0.022349
      8          6           0       -1.162617    1.813105    0.178068
      9          6           0       -1.675581    0.507253    0.370446
     10          6           0       -0.800954   -0.550815    0.386518
     11          6           0       -3.175000    0.316508    0.539158
     12          8           0        4.675062    0.363691   -0.254438
     13          6           0        5.607556   -0.703149   -0.244694
     14          1           0        3.524663   -2.074808    0.103947
     15          1           0        2.886450    2.147038   -0.255665
     16          1           0        1.129072   -2.439742    0.380890
     17          1           0        0.550726    3.042648   -0.120102
     18          1           0       -1.852677    2.647425    0.153954
     19          1           0       -1.168601   -1.561255    0.512106
     20          1           0       -3.627638    1.305010    0.609167
     21          6           0       -3.546747   -0.494005    1.785225
     22          6           0       -3.751553   -0.273210   -0.735630
     23          1           0        6.583819   -0.246740   -0.388953
     24          1           0        5.417122   -1.410440   -1.057092
     25          1           0        5.597238   -1.237035    0.709988
     26          1           0       -3.163624    0.008881    2.673322
     27          1           0       -3.125429   -1.496647    1.749497
     28          1           0       -4.629967   -0.586055    1.879701
     29          8           0       -4.295658    0.357517   -1.603525
     30          8           0       -3.574263   -1.613892   -0.819614
     31          1           0       -3.933780   -1.889738   -1.677049
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.414626   0.000000
     3  C    1.376461   2.417452   0.000000
     4  C    2.421237   2.805639   1.407734   0.000000
     5  C    2.815566   2.428518   2.448572   1.427580   0.000000
     6  C    2.412228   1.371592   2.787666   2.436658   1.411387
     7  C    3.729212   4.221560   2.475581   1.416475   2.439067
     8  C    4.843302   5.039163   3.720148   2.422153   2.792014
     9  C    5.067285   4.858678   4.239436   2.832008   2.430162
    10  C    4.228592   3.728694   3.735717   2.453389   1.413247
    11  C    6.562229   6.239703   5.759916   4.352274   3.838119
    12  O    1.361919   2.444292   2.330197   3.636165   4.176264
    13  C    2.392539   2.823798   3.632783   4.812911   5.051195
    14  H    2.172257   1.079581   3.396099   3.885215   3.401215
    15  H    2.123561   3.394183   1.082282   2.164586   3.433518
    16  H    3.394924   2.126792   3.870888   3.417453   2.154316
    17  H    4.076534   4.857633   2.706341   2.159368   3.420135
    18  H    5.808434   6.097634   4.597685   3.402764   3.874931
    19  H    4.848242   4.057752   4.594606   3.424969   2.149088
    20  H    7.121239   6.978399   6.158727   4.774476   4.550491
    21  C    7.173623   6.662159   6.535804   5.172201   4.422694
    22  C    7.141662   6.724104   6.428635   5.066624   4.448019
    23  H    3.261431   3.887202   4.337977   5.631190   6.026261
    24  H    2.723345   2.813408   4.004893   5.046190   5.104173
    25  H    2.724792   2.813941   4.007671   5.049403   5.106243
    26  H    7.079683   6.665232   6.403302   5.100174   4.495684
    27  H    6.917465   6.211208   6.479239   5.178075   4.173315
    28  H    8.249801   7.721762   7.592100   6.213507   5.480198
    29  O    7.800460   7.515466   6.988801   5.673757   5.266561
    30  O    7.167936   6.502398   6.698901   5.406066   4.473406
    31  H    7.712324   7.043420   7.273776   6.035382   5.141316
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.721118   0.000000
     8  C    4.203037   1.368180   0.000000
     9  C    3.728844   2.427822   1.416118   0.000000
    10  C    2.474072   2.789577   2.400494   1.372858   0.000000
    11  C    5.006047   3.803620   2.533747   1.520889   2.532122
    12  O    3.677170   4.805514   6.030453   6.382927   5.588729
    13  C    4.194703   6.086813   7.235019   7.408614   6.441322
    14  H    2.122797   5.301045   6.090317   5.812108   4.594928
    15  H    3.869803   2.724638   4.085900   4.888050   4.613866
    16  H    1.083230   4.589358   4.835254   4.068288   2.700570
    17  H    4.591334   1.083001   2.129842   3.409591   3.872555
    18  H    5.285996   2.125196   1.082984   2.158372   3.374751
    19  H    2.690959   3.871984   3.390859   2.134437   1.082555
    20  H    5.829780   3.919643   2.553495   2.122247   3.388776
    21  C    5.365723   4.835633   3.686433   2.550565   3.082043
    22  C    5.471971   4.620560   3.448209   2.478343   3.168961
    23  H    5.252991   6.812429   8.035655   8.328438   7.431601
    24  H    4.121646   6.362879   7.430332   7.484774   6.441074
    25  H    4.122793   6.367764   7.435182   7.486770   6.443011
    26  H    5.458321   4.722744   3.672267   2.786734   3.335407
    27  H    4.870650   5.135697   4.156498   2.831864   2.855783
    28  H    6.406735   5.782998   4.546871   3.493075   4.110009
    29  O    6.346030   5.047405   3.886998   3.283868   4.122899
    30  O    5.192983   5.301926   4.307634   3.085529   3.205640
    31  H    5.786279   5.933507   4.983157   3.877791   3.983167
                   11         12         13         14         15
    11  C    0.000000
    12  O    7.890215   0.000000
    13  C    8.876227   1.416964   0.000000
    14  H    7.126941   2.719951   2.518222   0.000000
    15  H    6.381517   2.525759   3.940572   4.284929   0.000000
    16  H    5.113414   4.564748   4.843958   2.439002   4.952992
    17  H    4.663421   4.919858   6.294287   5.923078   2.505215
    18  H    2.707415   6.927741   8.187817   7.156659   4.783043
    19  H    2.748156   6.200113   6.872074   4.738888   5.548364
    20  H    1.089458   8.400400   9.489499   7.926779   6.624975
    21  C    1.532257   8.514341   9.378997   7.438446   7.247507
    22  C    1.518310   8.464339   9.381833   7.542809   7.081741
    23  H    9.819022   2.008500   1.087294   3.597668   4.406640
    24  H    8.908138   2.083854   1.093854   2.317498   4.438720
    25  H    8.910378   2.083951   1.093873   2.316186   4.442162
    26  H    2.156251   8.375122   9.271214   7.461677   7.053657
    27  H    2.180575   8.265850   8.992856   6.875015   7.310253
    28  H    2.174535   9.593755  10.456273   8.477481   8.278050
    29  O    2.418398   9.071598  10.052118   8.365948   7.523416
    30  O    2.394184   8.501860   9.244771   7.173574   7.496896
    31  H    3.217894   9.011877   9.720943   7.670370   8.051797
                   16         17         18         19         20
    16  H    0.000000
    17  H    5.535529   0.000000
    18  H    5.900983   2.451052   0.000000
    19  H    2.463383   4.954967   4.278927   0.000000
    20  H    6.058182   4.583661   2.271516   3.777798   0.000000
    21  C    5.255600   5.738246   3.924220   2.900937   2.150840
    22  C    5.455362   5.466571   3.595441   3.144447   2.077164
    23  H    5.929265   6.876814   8.935626   7.914536  10.376802
    24  H    4.638386   6.662564   8.413256   6.771770   9.589461
    25  H    4.638892   6.668734   8.420180   6.776493   9.569247
    26  H    5.447774   5.550077   3.876559   3.334111   2.481128
    27  H    4.567635   6.133084   4.619414   2.316136   3.066243
    28  H    6.232906   6.633723   4.598580   3.847387   2.488985
    29  O    6.417964   5.735670   3.781609   4.235099   2.497999
    30  O    4.923880   6.260049   4.697927   2.750174   3.250270
    31  H    5.492730   6.845678   5.316899   3.542106   3.940421
                   21         22         23         24         25
    21  C    0.000000
    22  C    2.538780   0.000000
    23  H   10.364196  10.341218   0.000000
    24  H    9.448257   9.244524   1.778142   0.000000
    25  H    9.236920   9.508873   1.778116   1.784680   0.000000
    26  H    1.090135   3.470762  10.220348   9.463597   9.064198
    27  H    1.088153   2.839839  10.020216   8.992194   8.788225
    28  H    1.091222   2.776588  11.446000  10.499922  10.314443
    29  O    3.573455   1.202958  10.963728   9.887485  10.284179
    30  O    2.835505   1.354959  10.258714   8.996821   9.305812
    31  H    3.753026   1.879532  10.722804   9.383680   9.847044
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766784   0.000000
    28  H    1.770295   1.763453   0.000000
    29  O    4.437845   4.006260   3.624218   0.000000
    30  O    3.873321   2.610657   3.075266   2.240844   0.000000
    31  H    4.808703   3.542481   3.851589   2.277392   0.969814
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.46D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        3.352380    0.081536   -0.094047
      2          6           0        2.853162   -1.229651    0.086888
      3          6           0        2.486454    1.151296   -0.114829
      4          6           0        1.100546    0.960772    0.042252
      5          6           0        0.590185   -0.359596    0.227036
      6          6           0        1.505764   -1.433604    0.242412
      7          6           0        0.178320    2.035716    0.022349
      8          6           0       -1.162617    1.813105    0.178068
      9          6           0       -1.675581    0.507253    0.370446
     10          6           0       -0.800954   -0.550815    0.386518
     11          6           0       -3.175000    0.316508    0.539158
     12          8           0        4.675062    0.363691   -0.254438
     13          6           0        5.607556   -0.703149   -0.244694
     14          1           0        3.524663   -2.074808    0.103947
     15          1           0        2.886450    2.147038   -0.255665
     16          1           0        1.129072   -2.439742    0.380890
     17          1           0        0.550726    3.042648   -0.120102
     18          1           0       -1.852677    2.647425    0.153954
     19          1           0       -1.168601   -1.561255    0.512106
     20          1           0       -3.627638    1.305010    0.609167
     21          6           0       -3.546747   -0.494005    1.785225
     22          6           0       -3.751553   -0.273210   -0.735630
     23          1           0        6.583819   -0.246740   -0.388953
     24          1           0        5.417122   -1.410440   -1.057092
     25          1           0        5.597238   -1.237035    0.709988
     26          1           0       -3.163624    0.008881    2.673322
     27          1           0       -3.125429   -1.496647    1.749497
     28          1           0       -4.629967   -0.586055    1.879701
     29          8           0       -4.295658    0.357517   -1.603525
     30          8           0       -3.574263   -1.613892   -0.819614
     31          1           0       -3.933780   -1.889738   -1.677049
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.2770957           0.2099576           0.1981845
 Leave Link  202 at Wed Sep 29 11:29:00 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     23     24     25
 Centers:      26     27     28     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     13     21     22
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      12     29     30
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1132.7082601997 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Sep 29 11:29:01 2021, MaxMem=  5368709120 cpu:               5.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.27D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Wed Sep 29 11:29:02 2021, MaxMem=  5368709120 cpu:               5.6 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep 29 11:29:02 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer00_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep 29 11:29:04 2021, MaxMem=  5368709120 cpu:               6.7 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -766.608017946705    
 DIIS: error= 4.59D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -766.608017946705     IErMin= 1 ErrMin= 4.59D-03
 ErrMax= 4.59D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.96D-02 BMatP= 2.96D-02
 IDIUse=3 WtCom= 9.54D-01 WtEn= 4.59D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.313 Goal=   None    Shift=    0.000
 GapD=    0.313 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.41D-02 MaxDP=8.50D-01              OVMax= 2.29D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.34D-02    CP:  1.14D+00
 E= -766.638736176843     Delta-E=       -0.030718230138 Rises=F Damp=F
 DIIS: error= 1.61D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -766.638736176843     IErMin= 2 ErrMin= 1.61D-03
 ErrMax= 1.61D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-03 BMatP= 2.96D-02
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.61D-02
 Coeff-Com: -0.490D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.482D-02 0.100D+01
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=2.99D-03 MaxDP=1.81D-01 DE=-3.07D-02 OVMax= 1.05D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.46D-03    CP:  1.20D+00  1.13D+00
 E= -766.639858535419     Delta-E=       -0.001122358576 Rises=F Damp=F
 DIIS: error= 1.18D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -766.639858535419     IErMin= 3 ErrMin= 1.18D-03
 ErrMax= 1.18D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-03 BMatP= 1.51D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.18D-02
 Coeff-Com: -0.619D-01 0.491D+00 0.571D+00
 Coeff-En:   0.000D+00 0.355D-01 0.964D+00
 Coeff:     -0.612D-01 0.485D+00 0.576D+00
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=3.24D-04 MaxDP=1.96D-02 DE=-1.12D-03 OVMax= 4.33D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.88D-04    CP:  1.21D+00  1.14D+00  1.06D+00
 E= -766.640671784100     Delta-E=       -0.000813248681 Rises=F Damp=F
 DIIS: error= 2.02D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -766.640671784100     IErMin= 4 ErrMin= 2.02D-04
 ErrMax= 2.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.65D-05 BMatP= 1.22D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.02D-03
 Coeff-Com: -0.147D-01 0.385D-01 0.147D+00 0.830D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.147D-01 0.384D-01 0.146D+00 0.830D+00
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=1.06D-04 MaxDP=4.68D-03 DE=-8.13D-04 OVMax= 1.68D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.03D-04    CP:  1.21D+00  1.14D+00  1.08D+00  1.01D+00
 E= -766.640710281302     Delta-E=       -0.000038497202 Rises=F Damp=F
 DIIS: error= 8.83D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -766.640710281302     IErMin= 5 ErrMin= 8.83D-05
 ErrMax= 8.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.58D-06 BMatP= 3.65D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-02-0.382D-01-0.122D-01 0.331D+00 0.718D+00
 Coeff:      0.113D-02-0.382D-01-0.122D-01 0.331D+00 0.718D+00
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=3.78D-05 MaxDP=1.79D-03 DE=-3.85D-05 OVMax= 6.88D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.72D-05    CP:  1.21D+00  1.14D+00  1.09D+00  1.05D+00  1.14D+00
 E= -766.640718054546     Delta-E=       -0.000007773244 Rises=F Damp=F
 DIIS: error= 2.86D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -766.640718054546     IErMin= 6 ErrMin= 2.86D-05
 ErrMax= 2.86D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-06 BMatP= 7.58D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.227D-02-0.222D-01-0.246D-01 0.579D-01 0.331D+00 0.655D+00
 Coeff:      0.227D-02-0.222D-01-0.246D-01 0.579D-01 0.331D+00 0.655D+00
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=1.58D-05 MaxDP=6.99D-04 DE=-7.77D-06 OVMax= 3.44D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.14D-05    CP:  1.21D+00  1.14D+00  1.09D+00  1.05D+00  1.20D+00
                    CP:  1.22D+00
 E= -766.640719443556     Delta-E=       -0.000001389010 Rises=F Damp=F
 DIIS: error= 1.04D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -766.640719443556     IErMin= 7 ErrMin= 1.04D-05
 ErrMax= 1.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-07 BMatP= 1.27D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.509D-03-0.798D-03-0.579D-02-0.343D-01-0.174D-01 0.182D+00
 Coeff-Com:  0.876D+00
 Coeff:      0.509D-03-0.798D-03-0.579D-02-0.343D-01-0.174D-01 0.182D+00
 Coeff:      0.876D+00
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=9.31D-06 MaxDP=3.23D-04 DE=-1.39D-06 OVMax= 2.32D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.08D-06    CP:  1.21D+00  1.14D+00  1.09D+00  1.05D+00  1.25D+00
                    CP:  1.31D+00  1.43D+00
 E= -766.640719714730     Delta-E=       -0.000000271174 Rises=F Damp=F
 DIIS: error= 4.40D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -766.640719714730     IErMin= 8 ErrMin= 4.40D-06
 ErrMax= 4.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-08 BMatP= 1.08D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.200D-03 0.310D-02 0.224D-02-0.176D-01-0.541D-01-0.556D-01
 Coeff-Com:  0.235D+00 0.887D+00
 Coeff:     -0.200D-03 0.310D-02 0.224D-02-0.176D-01-0.541D-01-0.556D-01
 Coeff:      0.235D+00 0.887D+00
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=3.26D-06 MaxDP=1.08D-04 DE=-2.71D-07 OVMax= 1.26D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.55D-06    CP:  1.21D+00  1.14D+00  1.09D+00  1.05D+00  1.26D+00
                    CP:  1.37D+00  1.57D+00  1.22D+00
 E= -766.640719764399     Delta-E=       -0.000000049669 Rises=F Damp=F
 DIIS: error= 1.84D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -766.640719764399     IErMin= 9 ErrMin= 1.84D-06
 ErrMax= 1.84D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.26D-09 BMatP= 1.84D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.146D-03 0.131D-02 0.181D-02-0.155D-02-0.181D-01-0.534D-01
 Coeff-Com: -0.483D-01 0.373D+00 0.745D+00
 Coeff:     -0.146D-03 0.131D-02 0.181D-02-0.155D-02-0.181D-01-0.534D-01
 Coeff:     -0.483D-01 0.373D+00 0.745D+00
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=1.23D-06 MaxDP=5.12D-05 DE=-4.97D-08 OVMax= 4.57D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.69D-07    CP:  1.21D+00  1.14D+00  1.09D+00  1.05D+00  1.26D+00
                    CP:  1.38D+00  1.62D+00  1.31D+00  1.25D+00
 E= -766.640719772880     Delta-E=       -0.000000008481 Rises=F Damp=F
 DIIS: error= 6.81D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -766.640719772880     IErMin=10 ErrMin= 6.81D-07
 ErrMax= 6.81D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.34D-10 BMatP= 4.26D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.509D-05-0.179D-03 0.783D-04 0.230D-02 0.461D-02-0.219D-02
 Coeff-Com: -0.432D-01-0.684D-01 0.122D+00 0.985D+00
 Coeff:     -0.509D-05-0.179D-03 0.783D-04 0.230D-02 0.461D-02-0.219D-02
 Coeff:     -0.432D-01-0.684D-01 0.122D+00 0.985D+00
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=6.46D-07 MaxDP=2.38D-05 DE=-8.48D-09 OVMax= 2.29D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.40D-07    CP:  1.21D+00  1.14D+00  1.09D+00  1.05D+00  1.26D+00
                    CP:  1.38D+00  1.65D+00  1.36D+00  1.41D+00  1.38D+00
 E= -766.640719774144     Delta-E=       -0.000000001264 Rises=F Damp=F
 DIIS: error= 2.09D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -766.640719774144     IErMin=11 ErrMin= 2.09D-07
 ErrMax= 2.09D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.39D-11 BMatP= 3.34D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.176D-04-0.227D-03-0.216D-03 0.916D-03 0.369D-02 0.635D-02
 Coeff-Com: -0.680D-02-0.671D-01-0.615D-01 0.284D+00 0.841D+00
 Coeff:      0.176D-04-0.227D-03-0.216D-03 0.916D-03 0.369D-02 0.635D-02
 Coeff:     -0.680D-02-0.671D-01-0.615D-01 0.284D+00 0.841D+00
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=2.37D-07 MaxDP=1.14D-05 DE=-1.26D-09 OVMax= 6.33D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.49D-07    CP:  1.21D+00  1.14D+00  1.09D+00  1.05D+00  1.26D+00
                    CP:  1.38D+00  1.65D+00  1.37D+00  1.46D+00  1.49D+00
                    CP:  1.27D+00
 E= -766.640719774167     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 7.45D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -766.640719774167     IErMin=12 ErrMin= 7.45D-08
 ErrMax= 7.45D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.71D-12 BMatP= 5.39D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.533D-05-0.379D-04-0.675D-04-0.443D-04 0.338D-03 0.204D-02
 Coeff-Com:  0.385D-02-0.793D-02-0.328D-01-0.539D-01 0.238D+00 0.850D+00
 Coeff:      0.533D-05-0.379D-04-0.675D-04-0.443D-04 0.338D-03 0.204D-02
 Coeff:      0.385D-02-0.793D-02-0.328D-01-0.539D-01 0.238D+00 0.850D+00
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=8.01D-08 MaxDP=4.75D-06 DE=-2.32D-11 OVMax= 2.86D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  4.97D-08    CP:  1.21D+00  1.14D+00  1.09D+00  1.05D+00  1.26D+00
                    CP:  1.38D+00  1.65D+00  1.37D+00  1.47D+00  1.53D+00
                    CP:  1.37D+00  1.03D+00
 E= -766.640719774271     Delta-E=       -0.000000000105 Rises=F Damp=F
 DIIS: error= 5.24D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -766.640719774271     IErMin=13 ErrMin= 5.24D-08
 ErrMax= 5.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-12 BMatP= 7.71D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.107D-05 0.224D-04 0.132D-04-0.139D-03-0.446D-03-0.342D-03
 Coeff-Com:  0.195D-02 0.766D-02-0.697D-03-0.571D-01-0.614D-01 0.248D+00
 Coeff-Com:  0.863D+00
 Coeff:     -0.107D-05 0.224D-04 0.132D-04-0.139D-03-0.446D-03-0.342D-03
 Coeff:      0.195D-02 0.766D-02-0.697D-03-0.571D-01-0.614D-01 0.248D+00
 Coeff:      0.863D+00
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=3.87D-08 MaxDP=2.06D-06 DE=-1.05D-10 OVMax= 1.69D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.57D-08    CP:  1.21D+00  1.14D+00  1.09D+00  1.05D+00  1.26D+00
                    CP:  1.38D+00  1.65D+00  1.37D+00  1.48D+00  1.54D+00
                    CP:  1.41D+00  1.16D+00  1.13D+00
 E= -766.640719774275     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 2.29D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -766.640719774275     IErMin=14 ErrMin= 2.29D-08
 ErrMax= 2.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.21D-13 BMatP= 1.57D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.135D-05 0.131D-04 0.176D-04-0.239D-04-0.183D-03-0.532D-03
 Coeff-Com: -0.412D-03 0.354D-02 0.709D-02-0.109D-02-0.684D-01-0.132D+00
 Coeff-Com:  0.180D+00 0.101D+01
 Coeff:     -0.135D-05 0.131D-04 0.176D-04-0.239D-04-0.183D-03-0.532D-03
 Coeff:     -0.412D-03 0.354D-02 0.709D-02-0.109D-02-0.684D-01-0.132D+00
 Coeff:      0.180D+00 0.101D+01
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=2.14D-08 MaxDP=7.65D-07 DE=-3.87D-12 OVMax= 1.19D-06

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  1.17D-08    CP:  1.21D+00  1.14D+00  1.09D+00  1.05D+00  1.26D+00
                    CP:  1.38D+00  1.65D+00  1.37D+00  1.48D+00  1.54D+00
                    CP:  1.43D+00  1.20D+00  1.37D+00  1.30D+00
 E= -766.640719774292     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 1.44D-08 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -766.640719774292     IErMin=15 ErrMin= 1.44D-08
 ErrMax= 1.44D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.86D-14 BMatP= 3.21D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.734D-08-0.277D-05 0.415D-07 0.279D-04 0.719D-04-0.157D-04
 Coeff-Com: -0.526D-03-0.121D-02 0.154D-02 0.137D-01 0.284D-02-0.850D-01
 Coeff-Com: -0.185D+00 0.207D+00 0.105D+01
 Coeff:     -0.734D-08-0.277D-05 0.415D-07 0.279D-04 0.719D-04-0.157D-04
 Coeff:     -0.526D-03-0.121D-02 0.154D-02 0.137D-01 0.284D-02-0.850D-01
 Coeff:     -0.185D+00 0.207D+00 0.105D+01
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=1.21D-08 MaxDP=4.26D-07 DE=-1.73D-11 OVMax= 6.46D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  4.56D-09    CP:  1.21D+00  1.14D+00  1.09D+00  1.05D+00  1.26D+00
                    CP:  1.38D+00  1.65D+00  1.37D+00  1.48D+00  1.54D+00
                    CP:  1.43D+00  1.22D+00  1.45D+00  1.56D+00  1.29D+00
 E= -766.640719774253     Delta-E=        0.000000000040 Rises=F Damp=F
 DIIS: error= 3.46D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=15 EnMin= -766.640719774292     IErMin=16 ErrMin= 3.46D-09
 ErrMax= 3.46D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-14 BMatP= 6.86D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.246D-06-0.321D-05-0.334D-05 0.133D-04 0.580D-04 0.938D-04
 Coeff-Com: -0.762D-04-0.105D-02-0.793D-03 0.430D-02 0.138D-01-0.124D-02
 Coeff-Com: -0.849D-01-0.114D+00 0.284D+00 0.900D+00
 Coeff:      0.246D-06-0.321D-05-0.334D-05 0.133D-04 0.580D-04 0.938D-04
 Coeff:     -0.762D-04-0.105D-02-0.793D-03 0.430D-02 0.138D-01-0.124D-02
 Coeff:     -0.849D-01-0.114D+00 0.284D+00 0.900D+00
 Gap=     0.315 Goal=   None    Shift=    0.000
 RMSDP=5.09D-09 MaxDP=2.41D-07 DE= 3.98D-11 OVMax= 1.95D-07

 SCF Done:  E(RM11) =  -766.640719774     A.U. after   16 cycles
            NFock= 16  Conv=0.51D-08     -V/T= 2.0115
 KE= 7.579281515218D+02 PE=-4.047415289312D+03 EE= 1.390138157816D+03
 Leave Link  502 at Wed Sep 29 11:38:50 2021, MaxMem=  5368709120 cpu:            4683.5 elap:             586.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.47677464D+02

 Leave Link  801 at Wed Sep 29 11:38:51 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9491 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 4.82D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 2.02D-01 9.46D-02.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 4.42D-02 1.08D-01.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 5.72D-03 3.17D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 9.89D-04 8.03D-03.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 1.29D-04 2.20D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 8.68D-06 5.48D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 4.97D-07 1.21D-04.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 2.82D-08 2.43D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 9.94D-10 3.17D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 2.66D-11 5.74D-07.
      8 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 9.93D-13 9.61D-08.
      5 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 1.19D-13 2.44D-08.
      3 vectors produced by pass 13 Test12= 4.07D-13 8.33D-09 XBig12= 9.54D-14 1.57D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   137 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.287586D+03
      2 -0.187951D+02  0.178752D+03
      3 -0.802384D+01 -0.518258D+01  0.120178D+03
 Isotropic polarizability for W=    0.088559      195.51 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.413625D+03 -0.105654D+03 -0.875419D+02
      2  -0.177288D+03  0.893545D+02  0.795235D+01
      3  -0.236338D+03  0.162999D+02  0.795895D+02
      4  -0.546255D+02  0.848879D+02 -0.359489D+01
      5  -0.825578D+01  0.225057D+01 -0.845667D+02
      6  -0.298284D+01  0.203908D+02 -0.196226D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.113731D+02  0.204989D+02  0.313966D+01
      2  -0.783511D+02 -0.161131D+01 -0.256017D+02
      3   0.993598D+02 -0.424517D+02 -0.557943D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.584545D+01  0.124385D+02  0.359225D+02
      2  -0.792861D+02 -0.612043D+00  0.151771D+03
      3   0.510289D+02 -0.262176D+03 -0.523341D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.213401D+01  0.610710D+01 -0.147559D+02
      2   0.610710D+01  0.274381D+01  0.321279D+01
      3  -0.147559D+02  0.321279D+01  0.357253D+01
 OR G Eigenvalues:   -16.6682     4.9319    15.9187  Iso=    -1.3941
 Eigenvectors:
   (1)   0.737256  -0.329556   0.589785
   (2)   0.175958   0.936497   0.303334
   (3)  -0.652297  -0.119858   0.748426
 w=    0.088559 a.u., Optical Rotation Beta=     -1.3941 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -307.01 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 7.59D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.99D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 3.70D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 6.77D-02 5.52D-02.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 5.08D-03 1.96D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.93D-04 1.91D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 6.25D-06 2.63D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 1.40D-07 3.99D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 2.50D-09 4.53D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 4.09D-11 5.26D-07.
     30 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 5.23D-13 5.78D-08.
      9 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 2.96D-14 1.09D-08.
      4 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 4.42D-14 1.12D-08.
      4 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 9.98D-14 1.92D-08.
      3 vectors produced by pass 12 Test12= 6.78D-14 2.78D-09 XBig12= 1.65D-14 7.40D-09.
      2 vectors produced by pass 13 Test12= 6.78D-14 2.78D-09 XBig12= 2.76D-15 3.87D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   292 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 1.94D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 1.94D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.54D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.287586D+03 -0.187951D+02 -0.802384D+01
      2  -0.187951D+02  0.178752D+03 -0.518258D+01
      3  -0.802384D+01 -0.518258D+01  0.120178D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.113731D+02  0.204989D+02  0.313966D+01
      2  -0.783511D+02 -0.161131D+01 -0.256017D+02
      3   0.993598D+02 -0.424517D+02 -0.557943D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.413625D+03 -0.105654D+03 -0.875419D+02
      2  -0.177288D+03  0.893545D+02  0.795235D+01
      3  -0.236338D+03  0.162999D+02  0.795895D+02
      4  -0.546255D+02  0.848879D+02 -0.359489D+01
      5  -0.825578D+01  0.225057D+01 -0.845667D+02
      6  -0.298284D+01  0.203908D+02 -0.196226D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.410262D+02 -0.791967D+01 -0.158309D+01 -0.424180D+01  0.242078D+01
      2  -0.791967D+01  0.943942D+01 -0.753687D-01  0.242078D+01 -0.136057D+02
      3  -0.158309D+01 -0.753687D-01  0.317452D+01  0.656740D+00  0.144911D+01
                 6             7             8             9            10 
      1   0.656740D+00 -0.220929D+01  0.110778D+01  0.687535D+01  0.525608D+01
      2   0.144911D+01  0.110778D+01  0.218877D+00 -0.134091D+01  0.228803D+01
      3  -0.147358D+00  0.687535D+01 -0.134091D+01 -0.123452D+01 -0.277199D+00
                11            12            13            14            15 
      1   0.228803D+01 -0.277199D+00 -0.133415D+02  0.388051D+01  0.972658D+00
      2   0.903021D+01 -0.142734D+01  0.388051D+01  0.415450D+01 -0.140675D+01
      3  -0.142734D+01  0.219142D+01  0.972658D+00 -0.140675D+01 -0.140305D+01
                16            17            18            19            20 
      1   0.154206D+01 -0.486816D+00  0.373322D+01 -0.369532D+02  0.112782D+02
      2  -0.486816D+00 -0.192629D+01 -0.251703D+01  0.112782D+02 -0.883361D+01
      3   0.373322D+01 -0.251703D+01 -0.270276D+00  0.161598D+01  0.617421D+00
                21            22            23            24            25 
      1   0.161598D+01  0.194367D+02 -0.545986D+01 -0.780211D+00  0.171898D+01
      2   0.617421D+00 -0.545986D+01  0.716635D+01  0.312184D+00 -0.858476D-01
      3  -0.406103D+00 -0.780211D+00  0.312184D+00  0.220084D+01  0.363149D-01
                26            27            28            29            30 
      1  -0.858476D-01  0.363149D-01  0.361162D+02 -0.972820D+01 -0.139335D+01
      2   0.109690D+01  0.421008D+01 -0.972820D+01  0.306197D+01  0.328757D+00
      3   0.421008D+01 -0.109175D+01 -0.139335D+01  0.328757D+00  0.140161D+00
                31            32            33            34            35 
      1   0.446621D+02 -0.903202D+01 -0.297223D+01 -0.818580D+01  0.213137D+01
      2  -0.903202D+01  0.897034D+01  0.235417D+00  0.213137D+01 -0.116183D+01
      3  -0.297223D+01  0.235417D+00  0.479809D-01  0.137511D+01  0.859476D+00
                36            37            38            39            40 
      1   0.137511D+01 -0.395937D+02  0.108895D+02  0.150522D+01 -0.409586D+02
      2   0.859476D+00  0.108895D+02 -0.738607D+01 -0.443789D+00  0.771436D+01
      3  -0.857098D-01  0.150522D+01 -0.443789D+00  0.185307D+00  0.275758D+01
                41            42            43            44            45 
      1   0.771436D+01  0.275758D+01  0.827710D+01 -0.201509D+01 -0.145152D+01
      2  -0.656931D+01 -0.681899D-01 -0.201509D+01  0.135931D+01 -0.703908D+00
      3  -0.681899D-01 -0.151907D+00 -0.145152D+01 -0.703908D+00  0.106744D+00
                46            47            48            49            50 
      1  -0.603063D+01 -0.296268D+01  0.915932D+00 -0.983478D+00  0.347959D+01
      2  -0.296268D+01 -0.480347D+01  0.319784D+00  0.347959D+01 -0.213721D+01
      3   0.915932D+00  0.319784D+00 -0.197345D+01 -0.701069D+00 -0.697386D+00
                51            52            53            54            55 
      1  -0.701069D+00  0.661887D+00 -0.516240D+00 -0.572829D+00  0.119200D+02
      2  -0.697386D+00 -0.516240D+00 -0.114909D+00 -0.382019D+01  0.119593D+01
      3  -0.129258D+01 -0.572829D+00 -0.382019D+01  0.131351D+01 -0.155278D+01
                56            57            58            59            60 
      1   0.119593D+01 -0.155278D+01 -0.802255D+00 -0.254205D+01  0.747282D+00
      2   0.943321D+01 -0.731506D-02 -0.254205D+01 -0.274377D+00  0.747005D+00
      3  -0.731506D-02  0.163675D+01  0.747282D+00  0.747005D+00  0.133902D+01
                61            62            63            64            65 
      1  -0.711671D+00  0.735398D+00  0.126555D+01 -0.675743D+01 -0.227866D+01
      2   0.735398D+00  0.166472D+00  0.415229D+01 -0.227866D+01 -0.129994D+02
      3   0.126555D+01  0.415229D+01 -0.143242D+01  0.382699D+00  0.122434D+01
                66            67            68            69            70 
      1   0.382699D+00  0.836479D+01 -0.154679D+01 -0.434371D+00 -0.287613D+01
      2   0.122434D+01 -0.154679D+01 -0.762301D+01  0.126747D+01  0.160264D+00
      3  -0.226237D+01 -0.434371D+00  0.126747D+01  0.134542D+01 -0.529253D+01
                71            72            73            74            75 
      1   0.160264D+00 -0.529253D+01 -0.432234D+02  0.568904D+01  0.187547D+01
      2   0.278406D+01  0.250717D+01  0.568904D+01 -0.463453D+01  0.223077D+00
      3   0.250717D+01  0.813465D+00  0.187547D+01  0.223077D+00 -0.148230D+01
                76            77            78            79            80 
      1   0.928046D+01 -0.256228D+01 -0.123462D+01  0.463775D+00 -0.106566D+01
      2  -0.256228D+01  0.172272D+02 -0.125796D+01 -0.106566D+01 -0.787752D+00
      3  -0.123462D+01 -0.125796D+01 -0.354533D+00 -0.594763D+01  0.707110D+00
                81            82            83            84            85 
      1  -0.594763D+01  0.414540D+02 -0.110370D+02 -0.161313D+01 -0.201850D+02
      2   0.707110D+00 -0.110370D+02  0.112928D+02 -0.499950D+00  0.289975D+01
      3   0.860180D+00 -0.161313D+01 -0.499950D+00  0.292313D+00  0.532570D+00
                86            87            88            89            90 
      1   0.289975D+01  0.532570D+00 -0.294630D+01  0.328207D+00 -0.263157D+00
      2  -0.714159D+01  0.691490D-01  0.328207D+00 -0.960175D+00 -0.324734D+01
      3   0.691490D-01 -0.188883D+01 -0.263157D+00 -0.324734D+01  0.148681D+01
                91            92            93            94            95 
      1   0.602391D+01 -0.198469D+01 -0.941753D+00  0.420647D+01  0.225944D+01
      2  -0.198469D+01  0.191652D+01  0.838049D-01  0.225944D+01 -0.306395D+01
      3  -0.941753D+00  0.838049D-01  0.178937D+01 -0.618475D+00 -0.528798D+00
                96            97            98            99           100 
      1  -0.618475D+00  0.433134D+01  0.385695D+00  0.666305D+01 -0.123629D+02
      2  -0.528798D+00  0.385695D+00  0.490345D-01  0.226919D+01  0.489033D+01
      3   0.321179D+01  0.666305D+01  0.226919D+01 -0.652227D+00  0.428507D+00
               101           102           103           104           105 
      1   0.489033D+01  0.428507D+00 -0.788338D+00  0.277236D+01 -0.311101D+00
      2  -0.393728D+01 -0.268205D-01  0.277236D+01  0.119528D+01 -0.421352D+00
      3  -0.268205D-01  0.933753D-01 -0.311101D+00 -0.421352D+00 -0.913630D+00
               106           107           108           109           110 
      1   0.122761D+01 -0.670196D+00  0.128577D+00 -0.124859D+01 -0.404701D+01
      2  -0.670196D+00  0.387818D+00  0.743178D+00 -0.404701D+01  0.146859D+01
      3   0.128577D+00  0.743178D+00 -0.150682D+00  0.331231D+00  0.741626D+00
               111           112           113           114           115 
      1   0.331231D+00 -0.513663D+01 -0.154824D+01  0.104165D+01  0.293362D+00
      2   0.741626D+00 -0.154824D+01  0.188309D+01  0.965152D+00  0.867611D+00
      3  -0.148223D+00  0.104165D+01  0.965152D+00  0.566826D+01 -0.204772D+01
               116           117           118           119           120 
      1   0.867611D+00 -0.204772D+01  0.619605D+01 -0.332667D+01 -0.257958D+00
      2   0.604013D+00  0.442967D+01 -0.332667D+01  0.287706D+01  0.225517D-01
      3   0.442967D+01 -0.117235D+01 -0.257958D+00  0.225517D-01  0.360518D+00
               121           122           123           124           125 
      1  -0.462959D+01  0.458973D+01 -0.156596D+00 -0.259532D+00 -0.208387D+00
      2   0.458973D+01 -0.563542D+01  0.853489D-01 -0.208387D+00  0.275878D+00
      3  -0.156596D+00  0.853489D-01 -0.632901D+00 -0.358613D+00 -0.145947D+00
               126           127           128           129           130 
      1  -0.358613D+00  0.180554D+01  0.285344D+01 -0.384419D+00  0.329692D+01
      2  -0.145947D+00  0.285344D+01  0.213391D+01 -0.425354D+00  0.360075D+01
      3   0.140976D+00 -0.384419D+00 -0.425354D+00  0.443911D+00 -0.536827D+00
               131           132           133           134           135 
      1   0.360075D+01 -0.536827D+00 -0.484260D+00 -0.622276D+00  0.400283D+00
      2   0.762817D+01 -0.958044D+00 -0.622276D+00 -0.100430D+01  0.304694D+00
      3  -0.958044D+00  0.107181D+01  0.400283D+00  0.304694D+00 -0.248121D+00
               136           137           138           139           140 
      1  -0.921459D+00 -0.165194D+01  0.243301D+00 -0.526254D+00 -0.121732D+01
      2  -0.165194D+01 -0.224121D+01  0.378794D+00 -0.121732D+01 -0.929124D+01
      3   0.243301D+00  0.378794D+00 -0.297829D+00  0.108673D+00  0.996649D+00
               141           142           143           144           145 
      1   0.108673D+00  0.179114D+00  0.319284D+00  0.328110D-01  0.118939D+01
      2   0.996649D+00  0.319284D+00  0.117636D+01 -0.339751D+00  0.180702D+01
      3  -0.966788D+00  0.328110D-01 -0.339751D+00  0.181737D+00 -0.270821D+00
               146           147           148           149           150 
      1   0.180702D+01 -0.270821D+00  0.779507D+00  0.175435D+01 -0.145967D+00
      2   0.260549D+01 -0.401985D+00  0.175435D+01  0.105920D+02 -0.104875D+01
      3  -0.401985D+00  0.307458D+00 -0.145967D+00 -0.104875D+01  0.101824D+01
               151           152           153           154           155 
      1   0.138194D+00 -0.437920D+00  0.105147D+00 -0.586245D+01  0.355456D+01
      2  -0.437920D+00 -0.134035D+01  0.342093D+00  0.355456D+01 -0.363464D+01
      3   0.105147D+00  0.342093D+00 -0.205779D+00  0.268753D+00 -0.575712D-01
               156           157           158           159           160 
      1   0.268753D+00  0.373501D+01 -0.464780D+01  0.189173D+00  0.142788D+00
      2  -0.575712D-01 -0.464780D+01  0.635388D+01 -0.338404D-02  0.261725D+00
      3  -0.473617D+00  0.189173D+00 -0.338404D-02  0.746260D+00  0.302961D+00
               161           162           163           164           165 
      1   0.261725D+00  0.302961D+00 -0.253265D+01 -0.244576D+01  0.184123D+00
      2  -0.293621D+00  0.345640D+00 -0.244576D+01 -0.940810D+00  0.187564D+00
      3   0.345640D+00 -0.165355D+00  0.184123D+00  0.187564D+00 -0.452577D+00
               166           167           168           169           170 
      1  -0.311975D+01 -0.284294D+01  0.456875D+00 -0.196326D+00  0.295563D+00
      2  -0.284294D+01 -0.565113D+01  0.727386D+00  0.295563D+00  0.394972D+00
      3   0.456875D+00  0.727386D+00 -0.980921D+00 -0.504752D+00 -0.305001D+00
               171           172           173           174           175 
      1  -0.504752D+00 -0.176706D+01  0.234378D+01  0.208456D+00  0.413713D+01
      2  -0.305001D+00  0.234378D+01 -0.165650D+01 -0.265936D+00 -0.235241D+01
      3   0.601252D-01  0.208456D+00 -0.265936D+00 -0.899245D+00 -0.551263D+00
               176           177           178           179           180 
      1  -0.235241D+01 -0.551263D+00 -0.135020D+00 -0.321417D+00 -0.135892D+01
      2   0.510834D+01  0.429489D+00 -0.321417D+00  0.342700D+00  0.676941D+00
      3   0.429489D+00  0.961896D+00 -0.135892D+01  0.676941D+00  0.341237D+00
               181           182           183           184           185 
      1   0.101696D+02  0.141225D+01 -0.172811D+01 -0.168168D+01 -0.196305D+01
      2   0.141225D+01 -0.134601D+01 -0.525212D+00 -0.196305D+01  0.255194D+01
      3  -0.172811D+01 -0.525212D+00 -0.277982D+01  0.762517D+00 -0.280022D+00
               186           187           188           189           190 
      1   0.762517D+00  0.249553D+01  0.371329D+00 -0.404045D+01  0.375924D+01
      2  -0.280022D+00  0.371329D+00 -0.301840D-01 -0.315682D+01 -0.896837D+00
      3  -0.483314D+01 -0.404045D+01 -0.315682D+01 -0.505222D+00  0.222904D+01
               191           192           193           194           195 
      1  -0.896837D+00  0.222904D+01 -0.330099D+01 -0.505654D+00 -0.191723D+01
      2  -0.262140D+00 -0.976345D+00 -0.505654D+00 -0.113513D+00  0.482490D+00
      3  -0.976345D+00  0.122215D+01 -0.191723D+01  0.482490D+00 -0.389731D+01
               196           197           198           199           200 
      1   0.365040D+01 -0.131983D+01  0.520763D+00  0.143060D+02  0.183174D+01
      2  -0.131983D+01  0.278758D+00 -0.255479D+01  0.183174D+01  0.100677D+01
      3   0.520763D+00 -0.255479D+01  0.887025D+00 -0.129705D+01 -0.188443D+00
               201           202           203           204           205 
      1  -0.129705D+01  0.520179D+01  0.179326D+01 -0.512689D+00 -0.164487D+01
      2  -0.188443D+00  0.179326D+01  0.144161D+01 -0.303542D+00 -0.244096D+00
      3   0.121572D+01 -0.512689D+00 -0.303542D+00  0.300581D+00  0.188794D+01
               206           207           208           209           210 
      1  -0.244096D+00  0.188794D+01 -0.639890D+00 -0.117530D+00 -0.949476D+00
      2  -0.278857D+00 -0.133290D+00 -0.117530D+00 -0.530525D+00 -0.893734D-01
      3  -0.133290D+00 -0.438920D+00 -0.949476D+00 -0.893734D-01 -0.525225D+00
               211           212           213           214           215 
      1  -0.159728D+01  0.192721D+01  0.112310D+01 -0.328312D+01  0.145116D+01
      2   0.192721D+01 -0.381529D+01 -0.259543D+01  0.145116D+01 -0.259136D+01
      3   0.112310D+01 -0.259543D+01 -0.297360D+01  0.213762D+01 -0.307509D+01
               216           217           218           219           220 
      1   0.213762D+01  0.689557D+00 -0.303732D+00  0.150843D+01 -0.128140D+01
      2  -0.307509D+01 -0.303732D+00 -0.102556D+00 -0.442944D+00  0.177830D+01
      3  -0.441307D+01  0.150843D+01 -0.442944D+00  0.107781D+00 -0.125693D+01
               221           222           223           224           225 
      1   0.177830D+01 -0.125693D+01  0.457792D+01 -0.188269D+01  0.274303D+01
      2  -0.248512D+01  0.176177D+01 -0.188269D+01  0.211330D+01 -0.266379D+01
      3   0.176177D+01 -0.239009D+01  0.274303D+01 -0.266379D+01  0.533333D+01
               226           227           228           229           230 
      1   0.768385D-01  0.473640D+00  0.115367D+01  0.140306D+01  0.421976D+00
      2   0.473640D+00  0.582687D+00  0.388039D+00  0.421976D+00  0.111373D+01
      3   0.115367D+01  0.388039D+00  0.233412D+01 -0.321108D+00  0.158607D+01
               231           232           233           234           235 
      1  -0.321108D+00  0.111267D+01  0.166363D+00  0.303958D+00  0.289051D+00
      2   0.158607D+01  0.166363D+00  0.128846D+01  0.178538D+01 -0.769958D+00
      3   0.341833D+01  0.303958D+00  0.178538D+01  0.768134D+01 -0.935133D-01
               236           237           238           239           240 
      1  -0.769958D+00 -0.935133D-01 -0.204080D+01  0.444886D-02  0.379059D+00
      2   0.104448D+01 -0.286150D+00  0.444886D-02 -0.522715D+01  0.111702D+01
      3  -0.286150D+00  0.103785D+01  0.379059D+00  0.111702D+01 -0.140078D+01
               241           242           243           244           245 
      1  -0.643701D+00 -0.196370D+00  0.602174D+00 -0.151004D+02 -0.184329D+01
      2  -0.196370D+00  0.394974D+00 -0.573382D+00 -0.184329D+01 -0.103017D+01
      3   0.602174D+00 -0.573382D+00  0.719772D-01  0.380853D+01  0.576941D+00
               246           247           248           249           250 
      1   0.380853D+01 -0.159836D+01 -0.144103D+01  0.275514D+00  0.134404D+01
      2   0.576941D+00 -0.144103D+01 -0.614787D+00  0.489901D+00  0.185756D+00
      3  -0.232034D+01  0.275514D+00  0.489901D+00  0.270775D+00 -0.164517D+01
               251           252           253           254           255 
      1   0.185756D+00 -0.164517D+01 -0.823898D+01  0.254063D+01 -0.411236D+01
      2  -0.116889D-01  0.524472D-01  0.254063D+01 -0.133774D+01  0.857460D+00
      3   0.524472D-01  0.973464D+00 -0.411236D+01  0.857460D+00 -0.281122D+01
               256           257           258           259           260 
      1   0.627656D+01 -0.204130D+01  0.228885D+01 -0.847895D+01  0.113957D+01
      2  -0.204130D+01  0.389628D+01 -0.243825D+01  0.113957D+01 -0.202953D+01
      3   0.228885D+01 -0.243825D+01  0.335812D+01 -0.551318D+01  0.264920D+01
               261           262           263           264           265 
      1  -0.551318D+01  0.225622D+01 -0.373621D+00  0.109078D+01 -0.364306D+01
      2   0.264920D+01 -0.373621D+00  0.106139D+01  0.118580D+01 -0.425769D+00
      3  -0.762577D+01  0.109078D+01  0.118580D+01  0.173041D+01  0.991713D+00
               266           267           268           269           270 
      1  -0.425769D+00  0.991713D+00  0.219703D+01  0.206689D+01  0.249145D+01
      2  -0.351724D+01  0.702816D+00  0.206689D+01  0.262014D+01  0.154954D+01
      3   0.702816D+00  0.915552D+00  0.249145D+01  0.154954D+01  0.429721D+01
               271           272           273           274           275 
      1  -0.130115D+01 -0.136081D+01 -0.129511D+01 -0.923689D+00 -0.116833D+01
      2  -0.136081D+01 -0.127776D+01 -0.996078D+00 -0.116833D+01 -0.251663D+01
      3  -0.129511D+01 -0.996078D+00 -0.143081D+01 -0.833267D+00 -0.141658D+01
               276           277           278           279 
      1  -0.833267D+00 -0.229882D+01 -0.190112D+01 -0.260881D+01
      2  -0.141658D+01 -0.190112D+01 -0.302117D+01 -0.300684D+01
      3  -0.164746D+01 -0.260881D+01 -0.300684D+01 -0.485696D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.327195D+00  0.460769D+01 -0.254832D+01  0.388691D+01 -0.112773D+01
      2  -0.112678D+02  0.430920D+01  0.233205D+00  0.577594D+01 -0.286190D+01
      3   0.131647D+02  0.142845D+02 -0.178309D+01  0.336472D+02 -0.704751D+00
                 6             7             8             9            10 
      1   0.331785D+01 -0.107026D+01  0.130891D+02 -0.123515D+01 -0.104923D+00
      2  -0.506150D+00  0.287420D+01  0.230812D+01 -0.203275D+01 -0.229873D+01
      3  -0.247344D+01 -0.426251D+01 -0.267040D+01  0.483285D+01 -0.208467D+02
                11            12            13            14            15 
      1   0.327455D+01  0.451570D+01 -0.620936D-01  0.166285D+00 -0.197702D+01
      2   0.748478D+00  0.684407D+01  0.135528D+01 -0.224190D+01 -0.318789D+01
      3   0.272843D+01  0.141500D+00 -0.187687D+02 -0.882196D+01  0.274957D+01
                16            17            18            19            20 
      1   0.112070D+02  0.558577D+01 -0.266431D+01 -0.271325D+01 -0.391606D+01
      2  -0.559433D+01 -0.104252D+02  0.185389D+00  0.802301D+01 -0.557771D+01
      3   0.349915D+01  0.126110D+01 -0.967382D-01 -0.385990D+02 -0.259496D+02
                21            22            23            24            25 
      1   0.120173D+01 -0.831712D+00  0.234055D+01 -0.337123D+01 -0.661765D+01
      2   0.266052D+01 -0.642173D+01  0.518617D+01  0.382666D+01 -0.178086D+02
      3   0.471827D+01  0.119648D+02  0.755104D+01 -0.281424D+01  0.400261D+01
                26            27            28            29            30 
      1   0.326605D+01  0.726162D+00  0.140074D+01  0.462655D+01 -0.963465D+00
      2   0.174435D+02 -0.168854D+01 -0.132802D+02  0.816904D+01 -0.350333D+01
      3  -0.112975D+01 -0.946399D+01  0.309766D+02  0.374576D+02 -0.603374D+01
                31            32            33            34            35 
      1   0.417564D+01  0.254055D+00  0.779094D+00 -0.456770D+01  0.669046D+01
      2  -0.713022D+01 -0.159481D+01  0.126443D+01 -0.167454D+02  0.998236D+00
      3   0.674576D+02 -0.312826D+02 -0.250797D+01 -0.758733D+01 -0.144462D+01
                36            37            38            39            40 
      1  -0.130485D+00 -0.502153D+00  0.308903D+01 -0.561870D+00  0.345686D+01
      2   0.147501D+01  0.119009D+02  0.218710D+01 -0.537112D+00  0.116569D+02
      3   0.581413D+00 -0.166366D+02  0.428644D+02 -0.427117D+01  0.206030D+02
                41            42            43            44            45 
      1  -0.338463D+01 -0.151853D+00 -0.392400D+01  0.881082D+01 -0.755621D+00
      2  -0.499468D+01 -0.121612D+00 -0.206853D+02  0.183626D+01  0.161170D+01
      3  -0.268430D+02  0.118570D+01  0.229176D+01 -0.271783D+01  0.124692D+01
                46            47            48            49            50 
      1   0.193078D+01 -0.505309D+01 -0.386139D+01 -0.106060D+01  0.200995D+01
      2   0.569866D+00 -0.440611D+01 -0.465531D+01 -0.163902D+01  0.177050D+01
      3   0.353782D+02 -0.337662D+02  0.293236D+01 -0.678903D+01  0.298859D+02
                51            52            53            54            55 
      1  -0.221006D+01 -0.761063D+01 -0.231464D+01  0.185975D+01  0.137596D+01
      2  -0.260362D+01 -0.214009D+02 -0.284765D+01  0.393603D+01  0.208962D+01
      3  -0.143702D+01  0.127214D+01  0.213329D+01  0.996331D+01  0.341755D+02
                56            57            58            59            60 
      1  -0.155608D+01 -0.422482D+01 -0.249408D+01  0.148526D+01 -0.336663D+01
      2  -0.563966D+01  0.776848D+00 -0.291260D+01  0.379185D+01 -0.515266D+00
      3  -0.345059D+02  0.181629D+01 -0.623856D+01  0.239691D+02 -0.131894D+01
                61            62            63            64            65 
      1  -0.871903D+01 -0.420521D+01  0.376449D+01  0.226254D+00 -0.187822D+01
      2  -0.172295D+02  0.851240D+00  0.139810D+01 -0.242898D+01  0.159656D+01
      3  -0.119056D+00  0.194288D+01  0.442365D+01 -0.186813D+02  0.621427D+01
                66            67            68            69            70 
      1   0.545154D+01  0.310285D+01 -0.198312D+01 -0.973307D+00  0.145091D+02
      2   0.267704D+01 -0.588274D+01 -0.140193D+00 -0.207089D+01 -0.486973D+01
      3  -0.152041D+01  0.757624D+01  0.102326D+01 -0.142308D+01 -0.206264D+01
                71            72            73            74            75 
      1   0.561129D+01 -0.274051D+01 -0.555667D+01  0.192604D+01 -0.269437D+00
      2  -0.829264D+01  0.219498D+01  0.136171D+02 -0.164733D+01 -0.876037D+00
      3  -0.118571D+01 -0.624968D+01 -0.369665D+02  0.112284D+02  0.811484D+00
                76            77            78            79            80 
      1   0.164903D+01  0.498727D+01  0.284691D+00  0.216045D+01  0.127992D+02
      2   0.288093D+00 -0.630019D+00  0.228227D+01 -0.823373D+01  0.254936D+01
      3   0.326750D+02 -0.117134D+02  0.662554D+00 -0.249375D+01 -0.108691D+01
                81            82            83            84            85 
      1  -0.247974D+01  0.593555D+00 -0.797877D+00  0.105731D+01 -0.145475D+01
      2   0.170200D+01 -0.177170D+02  0.296857D+00  0.132946D+00  0.733926D+01
      3  -0.452896D+01  0.151590D+02 -0.390783D+02  0.401156D+01 -0.959900D+01
                86            87            88            89            90 
      1  -0.840025D+00 -0.101799D+01 -0.398567D+01  0.373805D+01 -0.480099D+00
      2   0.743929D+00  0.165341D+01 -0.188541D+02  0.881820D+01 -0.406949D+00
      3   0.617921D+01 -0.752769D+00  0.421307D+00  0.190779D+01 -0.214812D+01
                91            92            93            94            95 
      1   0.302898D+01  0.189818D+01  0.618463D+00  0.549707D+01 -0.172332D+01
      2  -0.387027D+01  0.678317D+00 -0.810760D+00 -0.416917D+01 -0.402985D+00
      3   0.836783D+01  0.158779D+01  0.890094D+00  0.281633D+02 -0.158077D+02
                96            97            98            99           100 
      1  -0.522681D+01  0.377459D+01  0.231430D+01  0.144501D+01  0.893922D+00
      2  -0.935146D+01 -0.364876D+02 -0.794714D+01 -0.181037D+01  0.471000D+01
      3  -0.273315D+01  0.832654D+01 -0.783410D+00  0.152632D+02 -0.595720D+01
               101           102           103           104           105 
      1  -0.454328D+01  0.285336D+01  0.995341D-01 -0.119369D+01 -0.481201D+01
      2  -0.340216D+01  0.135453D+02 -0.105402D+01 -0.186220D+01 -0.541662D+01
      3  -0.371473D+02  0.208958D+01 -0.239307D+01 -0.830741D+01  0.161123D+01
               106           107           108           109           110 
      1   0.159511D+01 -0.115181D+01  0.972058D-01  0.124866D+01  0.162937D+01
      2  -0.572383D+01  0.267686D+01 -0.948279D+00  0.109794D+01  0.446368D+01
      3   0.779718D+00  0.419697D+01 -0.350977D+01  0.328170D+02  0.447414D+01
               111           112           113           114           115 
      1  -0.117592D+01  0.121808D+01 -0.698327D+00  0.531944D+01 -0.995741D+01
      2  -0.835954D+00  0.577203D+01  0.458449D+01  0.355810D+02 -0.163365D+02
      3  -0.650670D+01  0.194458D+02 -0.251030D+02 -0.650640D+01 -0.604087D+01
               116           117           118           119           120 
      1   0.832152D+01 -0.241366D+01 -0.124188D+01  0.511288D+00  0.170527D+01
      2   0.282013D+02 -0.763000D+01 -0.211310D+01  0.632962D+00  0.178587D+01
      3  -0.479471D+01 -0.287575D+02 -0.369106D+01 -0.426342D+01  0.594278D+00
               121           122           123           124           125 
      1   0.200484D-01 -0.165872D+00 -0.280336D+01 -0.227069D+01  0.101976D+01
      2   0.135161D+00 -0.238240D+00 -0.303534D+01 -0.257665D+01 -0.199531D+00
      3  -0.475410D+01  0.128573D+02 -0.175486D+00  0.148748D+01 -0.912857D+00
               126           127           128           129           130 
      1   0.333010D+00  0.151561D+00  0.253567D+00 -0.145565D+01  0.250963D+00
      2   0.637035D+00 -0.832021D+00 -0.997802D+00  0.178250D+01 -0.972948D+00
      3   0.115779D+01 -0.383044D+01 -0.340274D+01  0.655999D+00 -0.227708D+01
               131           132           133           134           135 
      1  -0.244276D+00 -0.369455D+01 -0.344313D+00  0.160270D+01  0.392496D+00
      2  -0.256670D+01  0.369980D+01 -0.119429D+01  0.150215D+00 -0.496784D+00
      3  -0.185709D+02  0.200067D+01  0.888637D+00  0.211933D+01 -0.571324D-01
               136           137           138           139           140 
      1   0.328088D+00  0.188070D+00 -0.152433D+01 -0.319947D-01 -0.594631D+00
      2   0.100779D+01  0.940296D+00  0.260550D-01  0.631232D+00  0.186972D+01
      3   0.827847D+01  0.581078D+01 -0.124731D+01  0.613141D+01  0.187005D+02
               141           142           143           144           145 
      1  -0.421490D+01  0.757574D+00  0.241955D+01  0.152204D+00  0.983096D+00
      2  -0.501730D+00 -0.168225D+00 -0.237649D+00 -0.142685D-01  0.423079D+00
      3  -0.212707D+01 -0.145210D+01 -0.281576D+01  0.215667D-01  0.576004D+01
               146           147           148           149           150 
      1   0.112343D+01 -0.185482D+01  0.689685D+00  0.264249D+01 -0.521481D+01
      2  -0.899823D-02  0.842169D+00  0.314161D+00 -0.146262D+00  0.126312D+01
      3   0.333174D+01 -0.884200D+00  0.532128D+01  0.379427D+01 -0.589356D+00
               151           152           153           154           155 
      1   0.128828D+01  0.167439D+01  0.412280D+00  0.107885D+00 -0.457049D+00
      2  -0.825893D+00  0.906928D+00 -0.519445D+00 -0.500450D-01 -0.198015D+00
      3  -0.851385D+00 -0.125422D+01 -0.632533D+00 -0.103479D+02  0.161648D+01
               156           157           158           159           160 
      1   0.258330D+01 -0.176276D+01  0.159442D+01 -0.347751D+01 -0.252124D+01
      2   0.179785D+01 -0.822972D+00  0.495902D+00 -0.256618D+01 -0.223969D+01
      3   0.431634D+00  0.365569D+01  0.513851D+00  0.321811D+00  0.132730D+01
               161           162           163           164           165 
      1   0.674163D+00  0.605787D+00 -0.119455D+01 -0.102585D+00 -0.162844D+01
      2  -0.217876D+00  0.284774D+00  0.725119D+00  0.655828D+00  0.408897D+00
      3   0.164602D+00  0.989622D+00  0.279470D+01  0.134202D+01  0.109764D+00
               166           167           168           169           170 
      1  -0.733481D+00 -0.212544D+01 -0.326087D+01 -0.179023D+01  0.179931D+01
      2   0.110385D+01 -0.187120D-01  0.147744D+01 -0.125083D+01 -0.102917D+01
      3   0.442856D+01 -0.458974D+01  0.303881D+00 -0.828551D+00  0.689230D+00
               171           172           173           174           175 
      1   0.267469D-01  0.129999D+01 -0.848319D+00  0.902814D+00 -0.588991D+00
      2   0.670473D+00  0.210777D+00 -0.505618D+00  0.374438D+01  0.357064D-01
      3   0.877471D+00  0.810938D+01 -0.645124D+01 -0.936703D+00 -0.268458D+01
               176           177           178           179           180 
      1   0.311293D+01 -0.230077D+01  0.271346D+00  0.113482D+01  0.456009D+00
      2   0.279168D+00 -0.351365D+01  0.291944D+01 -0.182323D+01 -0.560151D+00
      3   0.188149D+02  0.743753D+00 -0.181932D+01  0.137454D+01  0.149627D+01
               181           182           183           184           185 
      1   0.233053D+01 -0.548121D+01 -0.196316D+01 -0.332750D+01  0.718574D+01
      2  -0.126673D+02 -0.186632D+01  0.170489D+02 -0.384513D+01  0.547385D+01
      3  -0.130074D+01 -0.122554D+02  0.162077D+01 -0.111029D+02  0.147427D+02
               186           187           188           189           190 
      1  -0.539720D+01  0.635142D+00 -0.747830D-01 -0.925551D+01 -0.145193D+00
      2   0.165533D+02  0.126704D+02  0.111530D+02  0.893722D+01  0.933973D+01
      3   0.105202D+01  0.632186D+01 -0.355854D+00 -0.129665D+02 -0.869911D+01
               191           192           193           194           195 
      1  -0.671561D+01 -0.358765D+01 -0.782705D+01  0.201996D+01 -0.118065D+01
      2   0.533131D+01  0.445594D+01  0.159445D+02 -0.466254D+00  0.145257D+02
      3  -0.650380D+01 -0.669287D+01 -0.473013D+01 -0.130778D+01  0.472598D+01
               196           197           198           199           200 
      1   0.747825D+00 -0.675666D+00  0.824887D+00 -0.148798D+01 -0.794277D+00
      2  -0.403613D+01  0.873205D+01 -0.133681D+02 -0.399836D+01 -0.788898D+00
      3  -0.549111D+01  0.158507D+02 -0.112217D+02 -0.210455D+02 -0.108007D+02
               201           202           203           204           205 
      1   0.449182D+00 -0.845463D+00 -0.748597D+00 -0.689353D+00  0.163704D+01
      2   0.905076D+01 -0.184368D+01 -0.130596D+01  0.221280D+01  0.923526D+01
      3   0.226201D+01 -0.132818D+02 -0.102781D+02  0.216626D+01  0.276638D+01
               206           207           208           209           210 
      1   0.335366D+00 -0.128343D+00  0.269436D+00  0.108011D+00 -0.110860D+01
      2  -0.802875D+00 -0.217579D+01 -0.678285D+01 -0.843242D+00 -0.269179D+01
      3   0.218977D+01  0.165455D-01  0.274196D+01  0.267420D+01  0.174683D+01
               211           212           213           214           215 
      1   0.330973D+00  0.300694D+00 -0.324622D+01  0.170255D+01  0.125091D+00
      2   0.403478D+01 -0.136203D+02 -0.170210D+02  0.812691D+01 -0.174730D+02
      3  -0.846952D+01  0.260498D+02  0.152502D+02 -0.545728D+01  0.166581D+02
               216           217           218           219           220 
      1  -0.414319D+01  0.634248D+00 -0.261945D+00 -0.625351D-01 -0.134598D+01
      2  -0.242595D+02  0.978732D+01 -0.261330D+01  0.108846D+01 -0.624017D+01
      3   0.185831D+02  0.271204D+01 -0.321864D+00  0.140244D+01 -0.846618D+01
               221           222           223           224           225 
      1   0.182245D+01 -0.367552D+01  0.357142D+01 -0.930105D+00  0.690371D+01
      2   0.102592D+02 -0.145596D+02  0.125445D+02 -0.161974D+02  0.315208D+02
      3   0.177965D+02 -0.105879D+02  0.752459D+01 -0.141137D+02  0.162807D+02
               226           227           228           229           230 
      1   0.148345D+01  0.260227D+01  0.123917D+01  0.188674D+01  0.388712D+01
      2  -0.623475D+01 -0.231618D+01 -0.960135D+01 -0.220883D+01 -0.659923D+01
      3   0.153220D+01  0.206239D+01  0.129251D+00  0.324685D+01  0.349247D+01
               231           232           233           234           235 
      1   0.325622D+01  0.710848D+00  0.574273D+01  0.696346D+01 -0.316489D+01
      2  -0.117367D+02 -0.573223D+01 -0.742875D+01 -0.283836D+02 -0.168473D+01
      3   0.457092D+01 -0.151508D+00  0.382390D+01  0.473771D+01 -0.742203D+01
               236           237           238           239           240 
      1   0.280216D+01  0.106735D+01  0.136069D+01 -0.117183D+02 -0.131834D+01
      2   0.277123D+01 -0.279710D+01  0.259664D+01 -0.576982D+01  0.408465D+01
      3   0.559019D+01 -0.633492D+00  0.480040D+01 -0.216737D+02  0.378534D+01
               241           242           243           244           245 
      1   0.498926D+00  0.684584D+00 -0.211807D+01 -0.186318D+01 -0.263758D+01
      2  -0.186384D+01  0.200016D+01 -0.141735D+01  0.118651D+02  0.449622D+00
      3   0.855174D+00  0.101307D+01 -0.308314D+01 -0.165117D+01 -0.675330D+01
               246           247           248           249           250 
      1  -0.325665D+00 -0.251463D+01 -0.167624D+01  0.721488D-01 -0.411831D+00
      2   0.582533D+01  0.140017D+01  0.100077D+00 -0.119111D+01  0.246467D+01
      3   0.152445D+01 -0.388362D+01 -0.338119D+01  0.151625D+01 -0.764782D+00
               251           252           253           254           255 
      1   0.891306D+00  0.729101D+00 -0.417325D+01  0.505614D+01  0.241259D+01
      2  -0.610359D+00 -0.116093D+01  0.801169D+01 -0.256353D+01  0.110702D+02
      3   0.108603D+01  0.778939D+00  0.913687D+01 -0.965931D+01  0.445812D+01
               256           257           258           259           260 
      1   0.433871D+01 -0.616661D+01 -0.123953D+01 -0.119045D+01  0.897672D+01
      2  -0.129934D+02  0.768711D+01 -0.128524D+02  0.170985D+02 -0.937699D+01
      3  -0.145422D+01  0.186152D+02 -0.971344D+01 -0.343344D+01 -0.171024D+02
               261           262           263           264           265 
      1  -0.765046D+00  0.463033D+01  0.145986D+01  0.265078D+01 -0.204813D+01
      2   0.327916D+02 -0.539640D+01 -0.578286D+01 -0.390618D+01 -0.211971D+01
      3   0.882237D+01 -0.272985D+01  0.219869D+01  0.320595D+01  0.143835D+01
               266           267           268           269           270 
      1   0.395700D+01 -0.574316D+01  0.257767D+01  0.233675D+01  0.701471D+01
      2  -0.153147D+01 -0.309385D+01 -0.839084D+01 -0.440378D+01 -0.136751D+02
      3  -0.172106D+02  0.265978D+01  0.530107D+01  0.607314D+01  0.234793D+01
               271           272           273           274           275 
      1  -0.442335D+00 -0.113041D+00 -0.159250D+01 -0.101781D+01 -0.785914D+00
      2   0.322684D+01  0.333782D+01  0.450686D+01  0.187261D+01  0.474970D+01
      3  -0.331033D+01 -0.397997D+01 -0.244523D+01 -0.186014D+01 -0.778416D+01
               276           277           278           279 
      1  -0.255480D+01 -0.205299D+01 -0.918523D+00 -0.599499D+01
      2   0.542031D+01  0.651136D+01  0.100817D+02  0.172146D+02
      3  -0.415745D+01 -0.425008D+01 -0.101163D+02 -0.970556D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.154904D+03 -0.396362D+02 -0.711949D+01  0.105412D+02 -0.328683D+02
      2  -0.854297D+02  0.244979D+02  0.239808D+01 -0.135239D+02  0.330876D+02
      3  -0.694741D+02  0.151383D+02  0.472140D+01  0.298274D+01 -0.219353D+00
      4  -0.177581D+02  0.312928D+02 -0.149161D+01 -0.303388D+02 -0.630401D+02
      5  -0.153222D+01 -0.974597D+00  0.267909D+01  0.699870D+01  0.672899D+01
      6   0.115256D+00  0.116045D+01  0.393568D+01  0.591959D+01 -0.344049D+01
                 6             7             8             9            10 
      1   0.450680D+01 -0.593961D+01  0.853165D+01  0.250204D+02  0.293013D+01
      2  -0.505738D+01  0.519170D+01 -0.719054D+01 -0.233312D+02 -0.194488D+01
      3   0.550587D+00  0.747914D+00 -0.134111D+01 -0.168916D+01 -0.985251D+00
      4   0.919374D+01  0.987559D+01  0.248016D+01 -0.294167D+01  0.358774D+02
      5  -0.125685D+01  0.487148D+02 -0.880898D+01 -0.363566D+01  0.300942D+01
      6  -0.398549D+01  0.234046D+00  0.329645D+01  0.178364D+01 -0.542492D+01
                11            12            13            14            15 
      1   0.604067D+02 -0.468241D+01 -0.771545D+02  0.365502D+02  0.184930D+01
      2  -0.409764D+02  0.137932D+01  0.532005D+02 -0.302388D+02 -0.105275D+01
      3  -0.194303D+02  0.330309D+01  0.239541D+02 -0.631142D+01 -0.796547D+00
      4   0.342055D+02 -0.799064D+01  0.331369D+02  0.303191D+02 -0.850141D+01
      5  -0.913122D+01  0.146706D+02  0.391287D+01 -0.712623D+01 -0.841332D+01
      6   0.321319D+01 -0.829900D+01 -0.610870D+01  0.284649D+01  0.474151D+01
                16            17            18            19            20 
      1   0.119198D+02 -0.123017D+02  0.102115D+01 -0.114149D+03  0.946378D+01
      2  -0.107959D+02  0.953853D+01 -0.683617D+01  0.526153D+02 -0.128071D+01
      3  -0.112391D+01  0.276319D+01  0.581503D+01  0.615337D+02 -0.818307D+01
      4  -0.738643D+01 -0.900514D+01 -0.147453D+02  0.116259D+02 -0.371721D+02
      5   0.258160D+02 -0.158202D+02  0.235066D+01  0.724904D+01  0.707561D+01
      6  -0.158168D+02  0.101098D+02  0.259642D+01  0.535569D+01  0.763186D+00
                21            22            23            24            25 
      1   0.721772D+01  0.896085D+02 -0.118939D+02 -0.713654D+01  0.124493D+01
      2  -0.375961D+01 -0.563909D+02 -0.488573D+01  0.604879D+01  0.142397D+01
      3  -0.345811D+01 -0.332177D+02  0.167796D+02  0.108776D+01 -0.266890D+01
      4   0.614981D+01 -0.937043D+01  0.234992D+02  0.205685D+01  0.329023D+01
      5   0.293916D+01 -0.360379D+01  0.291391D+01  0.927951D+01  0.343143D+01
      6  -0.932566D+00  0.156449D+01  0.546233D+01  0.477035D+01  0.319211D+01
                26            27            28            29            30 
      1   0.247250D+01 -0.172194D+02  0.898323D+02  0.936184D+00 -0.900904D+01
      2   0.256258D+01  0.187054D+01 -0.392342D+02 -0.384169D+01  0.340579D+01
      3  -0.503509D+01  0.153488D+02 -0.505981D+02  0.290550D+01  0.560325D+01
      4   0.836859D+01  0.233203D+02 -0.104259D+02  0.853208D+01 -0.575575D+00
      5   0.246891D+02 -0.316064D+01 -0.544067D+01 -0.259070D+01 -0.643063D+01
      6   0.150180D+02 -0.150775D+01 -0.389411D+01  0.146323D+01  0.180339D+01
                31            32            33            34            35 
      1   0.929383D+02 -0.371558D+02 -0.528525D+01 -0.191670D+02  0.284285D+01
      2  -0.446440D+02  0.310186D+02  0.736175D+00  0.834802D+01 -0.262729D+01
      3  -0.482942D+02  0.613714D+01  0.454908D+01  0.108190D+02 -0.215563D+00
      4  -0.190109D+02  0.139745D+02  0.472521D-01  0.311460D+01 -0.127991D+01
      5   0.430611D+01 -0.190001D+01  0.944223D+00  0.133412D+01  0.244998D+01
      6  -0.267396D+01  0.836359D+00 -0.161372D+01  0.345141D+01  0.360512D+01
                36            37            38            39            40 
      1  -0.621263D+01 -0.899786D+02  0.552901D+02  0.439841D+00 -0.871604D+02
      2  -0.261284D+01  0.495844D+02 -0.370612D+02 -0.103539D+01  0.469690D+02
      3   0.882548D+01  0.403942D+02 -0.182290D+02  0.595553D+00  0.401913D+02
      4   0.260253D+01  0.540079D+02 -0.203102D+01 -0.353292D+01 -0.868435D+01
      5   0.233367D+01 -0.122414D+01 -0.231562D+01  0.214864D+00 -0.161855D+01
      6   0.142006D+01 -0.209964D+01 -0.109789D+01  0.125821D+01  0.410181D+01
                41            42            43            44            45 
      1  -0.190467D+01  0.675835D+01  0.153516D+02 -0.689513D+01 -0.124046D+02
      2   0.487530D+01 -0.494550D+01 -0.798743D+01  0.374954D+01 -0.399211D+00
      3  -0.297063D+01 -0.181285D+01 -0.736421D+01  0.314559D+01  0.128038D+02
      4  -0.569145D+01  0.154835D+01 -0.459582D+01  0.112904D+01  0.767062D+00
      5   0.300487D+01  0.370837D+00 -0.973899D+00 -0.162556D+01  0.196656D+01
      6  -0.330967D+01 -0.504047D+00  0.190574D+01  0.215453D+01  0.326554D+00
                46            47            48            49            50 
      1  -0.639762D+00 -0.559464D+02  0.274489D+01  0.176566D+01  0.269776D+02
      2  -0.440121D+01  0.373873D+02 -0.586217D+00 -0.535128D+01 -0.261196D+02
      3   0.504097D+01  0.185592D+02 -0.215867D+01  0.358562D+01 -0.857986D+00
      4  -0.412078D+02 -0.305899D+02  0.552164D+01  0.318339D+02 -0.144307D+02
      5  -0.917774D+00  0.611129D+01 -0.105473D+02 -0.196482D+01 -0.955762D+00
      6   0.540334D+01  0.181619D+01  0.656467D+01 -0.516261D-01  0.568795D+01
                51            52            53            54            55 
      1  -0.525070D+01 -0.219495D+01 -0.339035D+00 -0.201951D+02  0.171879D+02
      2   0.536179D+01  0.271639D+01  0.512120D+01  0.597490D+01 -0.125197D+02
      3  -0.111092D+00 -0.521443D+00 -0.478216D+01  0.142202D+02 -0.466813D+01
      4  -0.171605D+01 -0.623964D-01  0.436374D+01 -0.975404D+01  0.139201D+01
      5  -0.294466D+01  0.107708D+01 -0.116794D+02  0.629238D+01  0.684526D+01
      6   0.525035D+01  0.199822D+01  0.194393D+02 -0.404385D+01  0.191131D+01
                56            57            58            59            60 
      1  -0.526993D+02 -0.256513D+00  0.119564D+02  0.679001D+01 -0.402856D+01
      2   0.452829D+02 -0.322669D-01 -0.122379D+02 -0.161326D+02  0.499951D+01
      3   0.741645D+01  0.288780D+00  0.281478D+00  0.934259D+01 -0.970955D+00
      4  -0.757094D+01  0.136581D+01  0.452296D+01 -0.106443D+02  0.195728D+01
      5   0.416827D+01 -0.844018D+00 -0.211369D+01  0.147637D+01  0.135601D+01
      6   0.607884D+01  0.759344D+01  0.113805D+01  0.720451D+01  0.759731D+01
                61            62            63            64            65 
      1  -0.534934D+01  0.509271D+00 -0.228583D+02 -0.840270D+01  0.692623D+02
      2   0.553217D+01  0.317858D+01  0.130779D+02  0.819558D+00 -0.589048D+02
      3  -0.182835D+00 -0.368785D+01  0.978038D+01  0.758314D+01 -0.103575D+02
      4   0.107857D+01  0.543339D+01  0.589967D+01  0.101295D+02 -0.148290D+02
      5   0.431195D+01  0.104473D+01  0.199158D+01 -0.830192D+00 -0.502120D+01
      6   0.631085D+01  0.249492D+02 -0.412272D+01 -0.359291D+01 -0.544613D+00
                66            67            68            69            70 
      1  -0.457875D+01 -0.244224D+02  0.381588D+02 -0.578800D+01  0.981251D+01
      2   0.376480D+01  0.264318D+02 -0.415730D+02  0.310391D+01 -0.811169D+01
      3   0.813945D+00 -0.200941D+01  0.341418D+01  0.268409D+01 -0.170082D+01
      4  -0.299830D+00  0.125121D+02  0.127323D+02 -0.338779D+01 -0.421544D+01
      5   0.641104D+01  0.172952D+01 -0.583343D+01 -0.607831D+01  0.229695D+02
      6  -0.924751D+01 -0.702479D+01  0.112227D+01  0.468043D+01 -0.202943D+02
                71            72            73            74            75 
      1  -0.163608D+02 -0.125370D+02 -0.730488D+01  0.589754D+01  0.822398D+00
      2   0.136927D+02  0.272917D+01 -0.639363D+01 -0.898320D+01  0.228484D+01
      3   0.266803D+01  0.980779D+01  0.136985D+02  0.308566D+01 -0.310724D+01
      4  -0.103781D+01 -0.103228D+02  0.156973D+02  0.988427D+01 -0.219845D+01
      5  -0.719378D+01  0.489915D-01 -0.749332D+01 -0.145797D+01  0.286964D+01
      6   0.142132D+02  0.634493D+01  0.185878D+01 -0.253803D+01 -0.229661D+01
                76            77            78            79            80 
      1   0.313317D+02 -0.729195D+02  0.448896D+01  0.106251D+02  0.579090D+01
      2  -0.212052D+02  0.713872D+02 -0.608917D+01 -0.180588D+01 -0.703433D+01
      3  -0.101265D+02  0.153228D+01  0.160021D+01 -0.881925D+01  0.124343D+01
      4  -0.404998D+02 -0.375543D+01  0.214627D+01  0.640953D+01 -0.200886D+01
      5   0.592013D+01  0.419629D+01  0.327995D+01  0.286291D+02 -0.222081D+01
      6   0.428345D+01  0.261685D+01 -0.281870D+01 -0.652836D+01  0.420067D+01
                81            82            83            84            85 
      1  -0.330238D+01  0.579373D+02 -0.599211D+02 -0.654004D+00  0.691569D+01
      2  -0.790478D+01 -0.337400D+02  0.468701D+02 -0.197059D+01 -0.163491D+02
      3   0.112072D+02 -0.241974D+02  0.130510D+02  0.262459D+01  0.943344D+01
      4   0.381951D+01 -0.492733D+02 -0.233513D+00  0.426243D+01  0.218716D+02
      5  -0.368691D+01  0.485455D+01  0.402984D+01 -0.363911D+01 -0.267226D+01
      6   0.246607D+01  0.251424D+01  0.307896D+01 -0.188369D+00  0.153575D+01
                86            87            88            89            90 
      1   0.311055D+02 -0.112024D+01 -0.601703D+01  0.625222D+01 -0.862085D+01
      2  -0.349021D+02  0.469178D+01  0.319004D+01  0.485934D+00 -0.622987D+01
      3   0.379663D+01 -0.357154D+01  0.282699D+01 -0.673816D+01  0.148507D+02
      4  -0.430980D+01 -0.130309D+00  0.525543D+01  0.185793D+01  0.337648D+01
      5   0.414483D+00  0.557457D+01  0.266455D+01  0.910726D+01 -0.944370D+00
      6   0.110436D+01  0.292455D+01  0.205099D+01  0.705601D+01 -0.224445D+01
                91            92            93            94            95 
      1   0.216836D+02  0.100092D+02 -0.404686D+01  0.587004D+00 -0.124057D+02
      2  -0.148532D+02 -0.415179D+01 -0.436464D+01  0.940176D+01  0.203557D+01
      3  -0.683036D+01 -0.585742D+01  0.841150D+01 -0.998877D+01  0.103701D+02
      4  -0.691751D+00 -0.154195D+02 -0.264771D+01 -0.291510D+02  0.314866D+02
      5   0.327570D+01 -0.282877D+01 -0.112784D+02  0.457973D+01  0.582965D+01
      6  -0.396263D+01  0.330905D+01 -0.287874D+01  0.524966D+01 -0.541501D+01
                96            97            98            99           100 
      1  -0.461685D+01 -0.143899D+02 -0.353394D+01 -0.126456D+02 -0.100090D+02
      2  -0.583677D+01  0.242060D+01 -0.351189D+00  0.897104D+01  0.274837D+01
      3   0.104536D+02  0.119693D+02  0.388513D+01  0.367459D+01  0.726065D+01
      4   0.459319D+01 -0.311375D+01  0.633750D+00 -0.229658D+02  0.285724D+02
      5  -0.231227D+02 -0.500887D+02 -0.181604D+02  0.966815D+01 -0.899780D+00
      6  -0.376745D+01 -0.851887D+01 -0.377186D+01  0.347530D+01 -0.253274D+00
               101           102           103           104           105 
      1   0.358829D+02  0.223141D+01  0.583053D+01  0.996579D+01 -0.336456D+01
      2  -0.215043D+02  0.699647D+00  0.173609D+00 -0.385578D+01  0.235327D+01
      3  -0.143787D+02 -0.293106D+01 -0.600414D+01 -0.611001D+01  0.101129D+01
      4   0.544962D+01 -0.992917D-01  0.321652D+02  0.152874D+02 -0.391093D+01
      5  -0.176024D+00  0.262122D+02 -0.466977D+01 -0.245443D+01 -0.953176D+01
      6  -0.187990D+01 -0.504561D+01 -0.151823D+01  0.329373D-01  0.842569D+01
               106           107           108           109           110 
      1   0.195742D+01 -0.365547D+01  0.705121D+00 -0.737058D+02 -0.419159D+02
      2   0.576917D+00  0.301244D+01 -0.130181D+01  0.437606D+02  0.216532D+02
      3  -0.253434D+01  0.643027D+00  0.596686D+00  0.299452D+02  0.202627D+02
      4  -0.419437D+01 -0.656109D+00  0.704415D+01 -0.403596D+02  0.707062D+01
      5   0.100698D+02  0.554239D+01 -0.423988D+01  0.979463D+01  0.877963D+01
      6   0.295670D+01  0.398944D+01 -0.128489D+01  0.232764D+01 -0.152848D+01
               111           112           113           114           115 
      1   0.996673D+01 -0.537239D+02  0.415780D+01  0.181021D+02  0.976629D+01
      2  -0.604616D+01  0.266533D+02 -0.309144D+01 -0.869947D+01 -0.498437D+01
      3  -0.392057D+01  0.270706D+02 -0.106636D+01 -0.940261D+01 -0.478192D+01
      4   0.794761D+01 -0.199688D+02  0.253395D+02  0.923914D+01  0.102437D+02
      5  -0.816157D+01  0.136770D+02  0.887465D+01  0.683174D+02 -0.242378D+02
      6   0.162109D+01  0.529412D+00 -0.489157D+01 -0.194192D+02  0.985783D+01
               116           117           118           119           120 
      1   0.138418D+02  0.108820D+01  0.364145D+02 -0.140741D+02 -0.162755D+01
      2  -0.709925D+01 -0.300808D+01 -0.121070D+02  0.176290D+00  0.800283D+00
      3  -0.674260D+01  0.191987D+01 -0.243075D+02  0.138978D+02  0.827268D+00
      4   0.547299D+01  0.472377D+02 -0.325278D+02  0.262485D+02  0.235199D+00
      5   0.501889D+02 -0.158206D+02 -0.104071D+00 -0.977768D+00  0.351956D+01
      6  -0.152144D+02  0.108184D+00  0.325078D+00  0.103472D+00 -0.206625D+01
               121           122           123           124           125 
      1  -0.172882D+02  0.607208D+01  0.589884D-02 -0.239433D+01  0.383489D+00
      2  -0.335101D+01  0.146477D+02  0.818420D-01  0.206854D+01 -0.100725D+01
      3   0.206392D+02 -0.207198D+02 -0.877408D-01  0.325787D+00  0.623762D+00
      4   0.386189D+02 -0.436651D+02  0.653283D+00 -0.105777D+01  0.172648D+01
      5  -0.264846D+01  0.284154D+01 -0.526961D+01 -0.120638D+01 -0.185002D+01
      6   0.130441D+01 -0.128708D+01  0.454186D+01  0.441965D+00  0.186288D+01
               126           127           128           129           130 
      1  -0.117265D+01  0.391885D+01  0.829414D+01 -0.675981D+00  0.513602D+01
      2   0.148183D+01  0.351040D+01  0.128511D+01  0.364548D-01  0.743422D+01
      3  -0.309182D+00 -0.742925D+01 -0.957925D+01  0.639526D+00 -0.125702D+02
      4  -0.246590D+01  0.234948D+02  0.227121D+02 -0.362486D+01  0.300259D+02
      5   0.716221D+00 -0.215828D+01 -0.257149D+01  0.372035D+01 -0.277832D+01
      6  -0.528224D+00 -0.160904D+01 -0.191445D+01  0.227956D+01 -0.239397D+01
               131           132           133           134           135 
      1  -0.111078D+02  0.138690D+01 -0.411038D+00  0.271650D+00 -0.899646D+00
      2   0.281682D+02 -0.217409D+01 -0.475190D+00 -0.215448D+01  0.258997D+01
      3  -0.170604D+02  0.787195D+00  0.886228D+00  0.188283D+01 -0.169033D+01
      4   0.528751D+02 -0.639991D+01 -0.474567D+01 -0.725588D+01  0.340910D+01
      5  -0.399386D+01  0.666563D+01  0.311082D+01  0.160554D+01 -0.167124D+01
      6  -0.526596D+01  0.681074D+01  0.329988D+01  0.348160D+01 -0.198201D+01
               136           137           138           139           140 
      1  -0.727731D+01 -0.150406D+02  0.246051D+01 -0.729976D+01 -0.464532D+02
      2   0.752800D+01  0.144569D+02 -0.164352D+01  0.723605D+01  0.560604D+02
      3  -0.250684D+00  0.583751D+00 -0.816985D+00  0.637109D-01 -0.960718D+01
      4  -0.330824D+00  0.507407D+01 -0.641126D-01  0.269637D+01 -0.134571D+02
      5   0.464898D+00  0.381031D+00  0.717773D+00  0.106634D+00  0.382611D+01
      6  -0.136526D+01 -0.272939D+01  0.224932D+01 -0.968903D+00 -0.890222D+01
               141           142           143           144           145 
      1   0.541492D+01  0.165927D+01  0.652800D+01 -0.255957D+01 -0.580927D+01
      2  -0.478933D+01 -0.126685D+01 -0.638307D+01  0.294340D+01  0.960138D+01
      3  -0.625588D+00 -0.392416D+00 -0.144930D+00 -0.383830D+00 -0.379211D+01
      4   0.178911D+01  0.158094D+00  0.128824D+01  0.140791D+01  0.785777D+01
      5  -0.207587D+01  0.127380D+01  0.264272D+00 -0.139739D+00  0.149736D+00
      6   0.755175D+01  0.272024D+00  0.402051D+01 -0.195199D+01 -0.100388D+01
               146           147           148           149           150 
      1  -0.102744D+02  0.187245D+01 -0.768698D+01 -0.521863D+02  0.546149D+01
      2   0.157774D+02 -0.191742D+01  0.109520D+02  0.742136D+02 -0.636648D+01
      3  -0.550305D+01  0.449651D-01 -0.326504D+01 -0.220273D+02  0.904994D+00
      4   0.158591D+02 -0.154922D+01  0.943736D+01  0.207925D+02 -0.168769D+01
      5  -0.945329D-01  0.205708D+01 -0.209110D+00  0.115461D+01  0.128134D+01
      6  -0.202917D+01  0.273076D+01 -0.832285D+00 -0.556968D+01  0.860727D+01
               151           152           153           154           155 
      1   0.132857D+01  0.686781D+01 -0.244824D+01  0.232348D+01  0.529271D+01
      2  -0.183049D+01 -0.854962D+01  0.338039D+01  0.101467D+02 -0.157684D+02
      3   0.501914D+00  0.168182D+01 -0.932152D+00 -0.124702D+02  0.104757D+02
      4  -0.121583D+01 -0.331226D+01  0.237940D+01 -0.286216D+02  0.249295D+02
      5   0.137405D+00  0.204089D+01 -0.938156D+00 -0.150475D+01  0.323619D+00
      6  -0.292862D+00  0.442682D+01 -0.210288D+01  0.241851D+01 -0.202005D+01
               156           157           158           159           160 
      1   0.856418D-01  0.954734D+01 -0.198645D+02 -0.107034D+00 -0.168555D+01
      2   0.737487D-01 -0.222420D+02  0.366913D+02  0.683418D-01  0.188763D+01
      3  -0.159391D+00  0.126947D+02 -0.168267D+02  0.386925D-01 -0.202075D+00
      4   0.471836D+00  0.278366D+02 -0.341846D+02  0.228182D+00 -0.262086D+00
      5   0.344537D+01 -0.693988D+00  0.291108D+00 -0.363836D+01  0.410898D+00
      6  -0.356428D+01 -0.904723D+00  0.228869D+01  0.573149D+01  0.106814D+01
               161           162           163           164           165 
      1   0.138741D+01 -0.355150D+00  0.508377D+01  0.899816D+00  0.485579D+00
      2  -0.198289D+01  0.185900D+01 -0.233283D+01  0.230710D+00  0.178152D+00
      3   0.595482D+00 -0.150385D+01 -0.275095D+01 -0.113053D+01 -0.663731D+00
      4   0.110800D+01 -0.261496D+01  0.805113D+01  0.844288D+01 -0.691100D+00
      5  -0.231701D+01  0.364505D+00 -0.453135D+00 -0.115824D+01  0.301815D+01
      6   0.318760D+01 -0.632556D+00 -0.113243D+01 -0.107963D+01  0.129807D+01
               166           167           168           169           170 
      1  -0.306406D+01 -0.158518D+02  0.258316D+01  0.169522D+01  0.148847D+01
      2   0.504538D+01  0.189911D+02 -0.113078D+01 -0.793068D+00 -0.132184D+01
      3  -0.198132D+01 -0.313933D+01 -0.145238D+01 -0.902155D+00 -0.166631D+00
      4   0.117120D+02  0.164713D+02 -0.187573D+01 -0.385753D+00 -0.158291D+01
      5  -0.196656D+01 -0.139975D+01  0.325536D+01  0.375769D+01  0.841817D+00
      6  -0.268000D+01 -0.604372D+01  0.534298D+01  0.255233D+01  0.265901D+01
               171           172           173           174           175 
      1  -0.161724D+01  0.149605D+02 -0.132983D+02 -0.761706D+00 -0.176988D+02
      2   0.214697D+01 -0.259984D+01  0.389180D+01  0.840792D+00  0.498251D+01
      3  -0.529725D+00 -0.123607D+02  0.940655D+01 -0.790862D-01  0.127163D+02
      4   0.213107D+01 -0.230878D+02  0.190415D+02  0.270441D+01  0.245980D+02
      5   0.146802D+00 -0.389761D+01  0.363595D+01  0.812095D+01  0.609108D+01
      6  -0.105989D+01  0.426759D+01 -0.286072D+01 -0.638984D+00 -0.388926D+01
               176           177           178           179           180 
      1   0.567492D+01  0.633811D+00  0.243413D+00  0.106774D+01  0.369568D+01
      2   0.973104D+01  0.104331D+00  0.101098D+01 -0.129041D+01 -0.166736D+01
      3  -0.154060D+02 -0.738142D+00 -0.125439D+01  0.222675D+00 -0.202832D+01
      4  -0.420508D+02 -0.391324D+01  0.370629D+01 -0.312855D+01 -0.599602D+01
      5  -0.499622D+01 -0.771016D+01  0.116170D+02 -0.533828D+01 -0.312119D+01
      6   0.850557D+01  0.421003D+01 -0.213652D+01  0.547716D+01  0.218043D+01
               181           182           183           184           185 
      1  -0.839700D+02 -0.146137D+02  0.295068D+02 -0.913887D+01  0.221603D+02
      2   0.456029D+02  0.135233D+02 -0.419765D+01  0.391825D+01 -0.160231D+02
      3   0.383672D+02  0.109038D+01 -0.253092D+02  0.522062D+01 -0.613718D+01
      4  -0.170686D+02  0.122998D+02  0.602406D+01  0.176441D+02 -0.175331D+02
      5   0.399982D+02  0.791123D+01  0.115589D+02 -0.189060D+01 -0.531509D+01
      6   0.386287D+01 -0.787966D+01 -0.921729D+00 -0.891936D+01  0.102790D+02
               186           187           188           189           190 
      1   0.154784D+02  0.117407D+02  0.121879D+02  0.232628D+02 -0.189140D+02
      2   0.931347D+01  0.676228D+01  0.468306D+01 -0.173310D+01  0.197045D+02
      3  -0.247919D+02 -0.185030D+02 -0.168709D+02 -0.215297D+02 -0.790496D+00
      4   0.865474D+00 -0.487001D+01  0.147487D+01  0.259642D+02  0.152650D+02
      5   0.313673D+02  0.273135D+02  0.198789D+02 -0.748972D+01 -0.277662D+02
      6   0.179511D+01  0.527047D+01  0.126596D+01 -0.168386D+02  0.494161D+01
               191           192           193           194           195 
      1   0.674706D+01 -0.103505D+02  0.228232D+02  0.208473D+01  0.113514D+02
      2  -0.473390D+01  0.152108D+02 -0.250533D+02 -0.597421D+01 -0.158827D+02
      3  -0.201317D+01 -0.486034D+01  0.223005D+01  0.388948D+01  0.453127D+01
      4  -0.103235D+01  0.811472D+01  0.102059D+01 -0.428154D+01 -0.221735D+01
      5   0.875752D+01 -0.132405D+02  0.202163D+02 -0.453429D+01  0.334916D+02
      6  -0.557727D+01  0.559035D+01  0.781669D+00  0.100921D+01 -0.333192D+01
               196           197           198           199           200 
      1  -0.300051D+02  0.970816D+01 -0.545137D+01  0.190243D+03  0.226558D+02
      2   0.236777D+02 -0.974812D+01  0.167091D+02 -0.101297D+03 -0.126672D+02
      3   0.632742D+01  0.399584D-01 -0.112577D+02 -0.889465D+02 -0.998866D+01
      4   0.173597D+02 -0.196695D+02  0.249103D+02  0.217589D+02  0.162710D+02
      5  -0.157922D+02  0.232996D+02 -0.205903D+02 -0.201370D+02 -0.258150D+01
      6   0.863123D+01 -0.675122D+01  0.102290D+02 -0.259445D+00 -0.709278D+00
               201           202           203           204           205 
      1  -0.159496D+02  0.613426D+02  0.225668D+02 -0.603316D+01 -0.194189D+02
      2   0.962455D+01 -0.331455D+02 -0.117128D+02  0.379508D+01  0.120492D+02
      3   0.632502D+01 -0.281971D+02 -0.108539D+02  0.223807D+01  0.736970D+01
      4  -0.219766D+01  0.267534D+02  0.184051D+02 -0.383933D+01 -0.295038D+01
      5   0.186250D+02 -0.704959D+01 -0.406005D+01  0.482073D+01  0.270666D+02
      6  -0.494179D+00 -0.121298D+01 -0.704119D+00  0.191764D+01 -0.397646D+00
               206           207           208           209           210 
      1  -0.336609D+01  0.192067D+02  0.103175D+00 -0.562042D+01 -0.140308D+02
      2   0.218180D+01 -0.114259D+02 -0.389366D+00  0.309842D+01  0.620863D+01
      3   0.118430D+01 -0.778078D+01  0.286191D+00  0.252201D+01  0.782217D+01
      4  -0.338403D+01 -0.543569D+00 -0.274086D+01 -0.106772D+01  0.180034D+01
      5  -0.593388D+00 -0.612814D+01 -0.115636D+02  0.962605D+00 -0.230625D+01
      6   0.259727D+01 -0.572809D-01  0.310206D+01  0.875340D+00  0.191263D+01
               211           212           213           214           215 
      1  -0.137345D+02  0.285245D+00 -0.202024D+01 -0.290430D+02  0.508010D+00
      2   0.537317D+01  0.615626D+01  0.263441D+01  0.158395D+02  0.329278D+00
      3   0.836134D+01 -0.644150D+01 -0.614171D+00  0.132036D+02 -0.837287D+00
      4   0.257801D+02 -0.423600D+02 -0.273490D+02  0.183273D+02 -0.276637D+02
      5   0.139813D+02 -0.275246D+02 -0.334426D+02  0.267199D+02 -0.330939D+02
      6  -0.638596D+01  0.134476D+02  0.137443D+02 -0.855036D+01  0.138495D+02
               216           217           218           219           220 
      1  -0.184361D+01  0.152459D+02 -0.576460D+01  0.155943D+02 -0.125060D+02
      2  -0.480223D+01 -0.779021D+01  0.260601D+01 -0.735299D+01  0.420006D+01
      3   0.664584D+01 -0.745565D+01  0.315859D+01 -0.824132D+01  0.830594D+01
      4  -0.311468D+02 -0.638024D+01  0.292508D+01 -0.709896D+01  0.242050D+02
      5  -0.461981D+02  0.177816D+02 -0.647559D+01  0.452429D+01 -0.162485D+02
      6   0.154484D+02 -0.409337D+01  0.128357D+01  0.413952D-01  0.435613D+01
               221           222           223           224           225 
      1   0.700892D+01 -0.669314D+01  0.418404D+02 -0.108956D+02  0.919957D+01
      2   0.116980D+01  0.739069D+00 -0.225440D+02  0.373937D+01 -0.909127D+01
      3  -0.817872D+01  0.595407D+01 -0.192964D+02  0.715623D+01 -0.108303D+00
      4  -0.296079D+02  0.198620D+02 -0.240995D+02  0.244560D+02 -0.283377D+02
      5   0.209031D+02 -0.286901D+02  0.353752D+02 -0.309124D+02  0.616517D+02
      6  -0.662272D+01  0.985532D+01 -0.854062D+01  0.102649D+02 -0.134851D+02
               226           227           228           229           230 
      1  -0.183999D+01 -0.379747D+01 -0.192728D+02 -0.577045D+01 -0.112789D+02
      2  -0.348372D+01 -0.361299D+00 -0.569480D+00  0.376029D+01  0.906732D+00
      3   0.532371D+01  0.415877D+01  0.198423D+02  0.201016D+01  0.103721D+02
      4  -0.210624D+01 -0.371629D+01 -0.274176D+01 -0.213541D+01 -0.778818D+01
      5  -0.553661D+01 -0.214553D+00 -0.634932D+01  0.579205D+01 -0.761447D+01
      6   0.186249D+01  0.351323D+01  0.149385D+01  0.138826D+01  0.697666D+01
               231           232           233           234           235 
      1  -0.124452D+02 -0.109567D+02 -0.879915D+01 -0.358684D+02 -0.792461D+00
      2  -0.727049D+01  0.453189D+01 -0.393254D+01 -0.188768D+02  0.313742D+01
      3   0.197157D+02  0.642481D+01  0.127317D+02  0.547452D+02 -0.234496D+01
      4  -0.107393D+02 -0.107616D+01 -0.868707D+01 -0.133362D+02  0.456528D+01
      5  -0.212621D+02  0.638129D+01 -0.978062D+01 -0.435950D+02  0.761075D+00
      6   0.992158D+01  0.631011D+00  0.803812D+01  0.800587D+01 -0.312737D+01
               236           237           238           239           240 
      1   0.106830D+02 -0.566786D+01  0.120754D+02 -0.206810D+02  0.432625D+01
      2  -0.795491D+01 -0.436936D+00 -0.750986D+01  0.223953D+02 -0.415586D+00
      3  -0.272806D+01  0.610480D+01 -0.456557D+01 -0.171436D+01 -0.391066D+01
      4  -0.516279D+01  0.112821D+01  0.390112D+01  0.337231D+02 -0.729978D+01
      5  -0.161327D+01 -0.472628D+01 -0.787504D+01 -0.314328D+01  0.893353D+01
      6   0.535242D+01 -0.253767D+01  0.315578D+00 -0.217325D+02  0.896041D+01
               241           242           243           244           245 
      1   0.720337D+00  0.273871D+01 -0.843154D+01  0.118465D+03  0.110709D+02
      2  -0.225079D+01 -0.654532D+00  0.388573D+01 -0.681931D+02 -0.562422D+01
      3   0.153046D+01 -0.208418D+01  0.454581D+01 -0.502720D+02 -0.544665D+01
      4   0.113830D+01 -0.164205D+01  0.282266D+01  0.251399D+02  0.143781D+02
      5  -0.314669D+01  0.284589D+01  0.220930D+01 -0.660104D+02 -0.816588D+01
      6  -0.810842D+00  0.534769D+01 -0.169879D+01 -0.607015D+01 -0.496835D+01
               246           247           248           249           250 
      1  -0.228791D+02  0.795269D+01  0.897095D+01 -0.276002D+01 -0.767788D+01
      2   0.191677D+02 -0.318564D+01 -0.361557D+01  0.965429D-01  0.973342D+01
      3   0.371134D+01 -0.476705D+01 -0.535537D+01  0.266347D+01 -0.205554D+01
      4  -0.672700D+01  0.173180D+02  0.725726D+01 -0.486393D+01 -0.208477D+01
      5   0.301841D+02 -0.487088D+01 -0.683572D+01 -0.288348D+00  0.217356D+02
      6   0.380553D+01 -0.577599D+01 -0.304524D+01  0.308540D+01  0.268140D+01
               251           252           253           254           255 
      1  -0.179642D+01  0.100817D+02  0.704271D+02 -0.218699D+02  0.309916D+02
      2   0.372244D+00 -0.103435D+02 -0.453192D+02  0.128226D+02 -0.232329D+02
      3   0.142417D+01  0.261784D+00 -0.251079D+02  0.904734D+01 -0.775868D+01
      4  -0.173341D+01  0.708075D+00 -0.250460D+02  0.206413D+02 -0.813101D+01
      5   0.114401D+01 -0.124324D+02  0.516804D+02 -0.120103D+02  0.373526D+02
      6   0.171995D+01 -0.153400D+00 -0.717001D+01  0.703874D+01 -0.393079D+01
               256           257           258           259           260 
      1  -0.343518D+02  0.119014D+02 -0.650473D+01  0.410673D+02 -0.519017D+01
      2   0.240589D+02 -0.756847D+01  0.123821D+02 -0.370054D+02  0.106611D+02
      3   0.102929D+02 -0.433298D+01 -0.587734D+01 -0.406192D+01 -0.547097D+01
      4   0.258667D+02 -0.345750D+02  0.225315D+02 -0.140035D+02  0.271167D+02
      5  -0.256340D+02  0.228923D+02 -0.298759D+02  0.617648D+02 -0.242830D+02
      6   0.974425D+01 -0.137838D+02  0.144549D+02 -0.476149D+01  0.159744D+02
               261           262           263           264           265 
      1   0.125222D+02 -0.354678D+01  0.106107D+02 -0.173641D+00  0.937768D+01
      2  -0.384289D+02  0.554496D+01 -0.462589D+01  0.522572D+00 -0.866639D+00
      3   0.259066D+02 -0.199818D+01 -0.598476D+01 -0.348931D+00 -0.851105D+01
      4  -0.234716D+02  0.732262D+00 -0.644796D+00 -0.106657D+02  0.115821D+02
      5   0.716057D+02 -0.968366D+01 -0.711963D+01 -0.954896D+01 -0.639954D+01
      6  -0.123361D+02 -0.263357D+01 -0.537346D+01 -0.775774D+01 -0.432038D+01
               266           267           268           269           270 
      1  -0.108177D+02 -0.446161D+01 -0.811476D+01 -0.547078D+01 -0.747370D+01
      2   0.274556D+02  0.397783D+01  0.411626D+01  0.128687D+01  0.592463D+01
      3  -0.166380D+02  0.483778D+00  0.399850D+01  0.418391D+01  0.154906D+01
      4   0.307771D+02 -0.865469D+01 -0.188209D+02 -0.199401D+02 -0.151554D+02
      5  -0.859260D+01 -0.746446D+01 -0.161420D+02 -0.137210D+02 -0.331793D+02
      6   0.505389D+01  0.162735D+01 -0.111492D+02 -0.441449D+01 -0.148602D+02
               271           272           273           274           275 
      1   0.812731D+01  0.600956D+01  0.661818D+01  0.380091D+01 -0.220999D+01
      2  -0.399995D+01 -0.258991D+01 -0.410119D+01  0.205177D+00  0.503755D+01
      3  -0.412736D+01 -0.341965D+01 -0.251698D+01 -0.400608D+01 -0.282756D+01
      4   0.146636D+02  0.129641D+02  0.114187D+02  0.117070D+02  0.196400D+02
      5   0.132650D+02  0.101597D+02  0.144100D+02  0.759603D+01  0.109318D+02
      6   0.742552D+01  0.568048D+01  0.662206D+01  0.542476D+01  0.103566D+02
               276           277           278           279 
      1  -0.127682D+01  0.714147D+01 -0.131923D+01 -0.180559D+01
      2   0.231213D+01 -0.587692D+01  0.187096D+00 -0.567062D+01
      3  -0.103530D+01 -0.126456D+01  0.113214D+01  0.747622D+01
      4   0.117509D+02  0.191832D+02  0.250774D+02  0.259978D+02
      5   0.121271D+02  0.234913D+02  0.236603D+02  0.376013D+02
      6   0.907065D+01  0.121963D+02  0.166987D+02  0.213232D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep 29 13:18:59 2021, MaxMem=  5368709120 cpu:           48020.9 elap:            6007.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51707 -19.49633 -19.46192 -10.58560 -10.50982
 Alpha  occ. eigenvalues --  -10.49853 -10.46699 -10.45852 -10.45652 -10.45455
 Alpha  occ. eigenvalues --  -10.45255 -10.45237 -10.44773 -10.44768 -10.44602
 Alpha  occ. eigenvalues --  -10.44132 -10.43928  -1.24706  -1.19874  -1.14492
 Alpha  occ. eigenvalues --   -1.02210  -0.97884  -0.93638  -0.91330  -0.87471
 Alpha  occ. eigenvalues --   -0.86753  -0.82131  -0.79981  -0.76760  -0.74100
 Alpha  occ. eigenvalues --   -0.72948  -0.70978  -0.66000  -0.64312  -0.63972
 Alpha  occ. eigenvalues --   -0.61878  -0.60200  -0.60081  -0.59395  -0.58574
 Alpha  occ. eigenvalues --   -0.56596  -0.56185  -0.55019  -0.53907  -0.53591
 Alpha  occ. eigenvalues --   -0.52363  -0.52153  -0.50844  -0.50171  -0.49244
 Alpha  occ. eigenvalues --   -0.47449  -0.47329  -0.45650  -0.45423  -0.44110
 Alpha  occ. eigenvalues --   -0.43048  -0.42307  -0.40325  -0.38314  -0.33314
 Alpha  occ. eigenvalues --   -0.29764
 Alpha virt. eigenvalues --    0.01762   0.03176   0.04118   0.05017   0.05644
 Alpha virt. eigenvalues --    0.06096   0.06814   0.07438   0.08536   0.08957
 Alpha virt. eigenvalues --    0.09292   0.09435   0.09961   0.10679   0.10891
 Alpha virt. eigenvalues --    0.11541   0.12410   0.13029   0.13719   0.14113
 Alpha virt. eigenvalues --    0.15387   0.15794   0.16275   0.16607   0.17027
 Alpha virt. eigenvalues --    0.17343   0.18038   0.18619   0.19415   0.19961
 Alpha virt. eigenvalues --    0.20716   0.21105   0.21521   0.22002   0.22408
 Alpha virt. eigenvalues --    0.22960   0.23454   0.24328   0.24546   0.25272
 Alpha virt. eigenvalues --    0.25789   0.25859   0.26748   0.26773   0.28135
 Alpha virt. eigenvalues --    0.28353   0.28759   0.29073   0.29232   0.29945
 Alpha virt. eigenvalues --    0.30773   0.30890   0.31139   0.31822   0.32198
 Alpha virt. eigenvalues --    0.32702   0.32846   0.33758   0.34125   0.34731
 Alpha virt. eigenvalues --    0.34739   0.35136   0.35495   0.35891   0.36223
 Alpha virt. eigenvalues --    0.36645   0.37222   0.37293   0.37448   0.37970
 Alpha virt. eigenvalues --    0.38335   0.38630   0.38807   0.39149   0.39516
 Alpha virt. eigenvalues --    0.39865   0.40263   0.40550   0.41185   0.41275
 Alpha virt. eigenvalues --    0.41564   0.41614   0.41790   0.42068   0.42829
 Alpha virt. eigenvalues --    0.43086   0.43193   0.43806   0.44092   0.44556
 Alpha virt. eigenvalues --    0.44785   0.44938   0.45059   0.45310   0.45776
 Alpha virt. eigenvalues --    0.46222   0.46573   0.46632   0.47212   0.47316
 Alpha virt. eigenvalues --    0.47552   0.47907   0.48257   0.48727   0.48906
 Alpha virt. eigenvalues --    0.49492   0.50238   0.50704   0.51398   0.51985
 Alpha virt. eigenvalues --    0.52418   0.52779   0.52988   0.53104   0.53472
 Alpha virt. eigenvalues --    0.54244   0.54781   0.55179   0.55510   0.55795
 Alpha virt. eigenvalues --    0.56503   0.56730   0.57218   0.57550   0.58391
 Alpha virt. eigenvalues --    0.58841   0.59197   0.59837   0.60193   0.60942
 Alpha virt. eigenvalues --    0.61070   0.61957   0.62150   0.62439   0.63184
 Alpha virt. eigenvalues --    0.63427   0.64329   0.64505   0.65047   0.65315
 Alpha virt. eigenvalues --    0.65847   0.66359   0.67233   0.67534   0.68160
 Alpha virt. eigenvalues --    0.68573   0.68794   0.69835   0.70650   0.71247
 Alpha virt. eigenvalues --    0.71587   0.72528   0.73426   0.73818   0.74211
 Alpha virt. eigenvalues --    0.74810   0.75072   0.75300   0.75583   0.76455
 Alpha virt. eigenvalues --    0.76990   0.77415   0.77708   0.78065   0.78559
 Alpha virt. eigenvalues --    0.79614   0.80186   0.80899   0.80913   0.81834
 Alpha virt. eigenvalues --    0.81860   0.82970   0.83869   0.84696   0.84954
 Alpha virt. eigenvalues --    0.85273   0.86380   0.87576   0.87629   0.88816
 Alpha virt. eigenvalues --    0.89559   0.90643   0.91408   0.92838   0.93503
 Alpha virt. eigenvalues --    0.93681   0.93989   0.95832   0.96482   0.97090
 Alpha virt. eigenvalues --    0.99066   1.00038   1.00223   1.01180   1.01524
 Alpha virt. eigenvalues --    1.03186   1.04157   1.04579   1.05154   1.05983
 Alpha virt. eigenvalues --    1.06197   1.06997   1.07768   1.08857   1.09439
 Alpha virt. eigenvalues --    1.09658   1.10019   1.10413   1.11169   1.12348
 Alpha virt. eigenvalues --    1.13222   1.14144   1.15005   1.15634   1.16218
 Alpha virt. eigenvalues --    1.17129   1.17524   1.18487   1.18777   1.20694
 Alpha virt. eigenvalues --    1.21061   1.22626   1.23125   1.24816   1.25148
 Alpha virt. eigenvalues --    1.25628   1.26482   1.27303   1.27829   1.29058
 Alpha virt. eigenvalues --    1.30464   1.31495   1.33228   1.34419   1.35163
 Alpha virt. eigenvalues --    1.35848   1.35947   1.37629   1.37943   1.39156
 Alpha virt. eigenvalues --    1.41529   1.41555   1.42643   1.44285   1.44622
 Alpha virt. eigenvalues --    1.44974   1.46628   1.48500   1.50341   1.52337
 Alpha virt. eigenvalues --    1.53543   1.54135   1.55895   1.56646   1.57580
 Alpha virt. eigenvalues --    1.58904   1.60415   1.61749   1.63282   1.64844
 Alpha virt. eigenvalues --    1.65106   1.65846   1.67605   1.68800   1.69714
 Alpha virt. eigenvalues --    1.70600   1.71322   1.72417   1.74419   1.76008
 Alpha virt. eigenvalues --    1.76700   1.76951   1.77583   1.78762   1.79649
 Alpha virt. eigenvalues --    1.81125   1.82198   1.82917   1.83898   1.85453
 Alpha virt. eigenvalues --    1.86609   1.88768   1.89936   1.90155   1.91376
 Alpha virt. eigenvalues --    1.91714   1.93548   1.96606   1.96931   1.98316
 Alpha virt. eigenvalues --    1.98649   1.99073   1.99739   2.00966   2.01612
 Alpha virt. eigenvalues --    2.02600   2.02853   2.02930   2.04560   2.05464
 Alpha virt. eigenvalues --    2.07323   2.07583   2.08216   2.09494   2.10500
 Alpha virt. eigenvalues --    2.11120   2.12496   2.13112   2.13244   2.13616
 Alpha virt. eigenvalues --    2.15052   2.15308   2.16776   2.17907   2.18268
 Alpha virt. eigenvalues --    2.19307   2.20997   2.22361   2.23169   2.24338
 Alpha virt. eigenvalues --    2.26127   2.26857   2.28546   2.28734   2.30201
 Alpha virt. eigenvalues --    2.32189   2.32958   2.34284   2.35499   2.36385
 Alpha virt. eigenvalues --    2.36894   2.37487   2.39530   2.40546   2.41150
 Alpha virt. eigenvalues --    2.41450   2.43480   2.46113   2.47077   2.49486
 Alpha virt. eigenvalues --    2.51389   2.51580   2.53772   2.54528   2.55275
 Alpha virt. eigenvalues --    2.57970   2.59249   2.60497   2.61475   2.63285
 Alpha virt. eigenvalues --    2.64240   2.65203   2.65645   2.66527   2.67781
 Alpha virt. eigenvalues --    2.71299   2.74467   2.77768   2.77985   2.80313
 Alpha virt. eigenvalues --    2.85053   2.88554   2.89455   2.94080   2.95183
 Alpha virt. eigenvalues --    2.96798   2.99693   3.00608   3.01207   3.01858
 Alpha virt. eigenvalues --    3.03597   3.04290   3.05329   3.06313   3.09352
 Alpha virt. eigenvalues --    3.10350   3.10900   3.11718   3.12989   3.17381
 Alpha virt. eigenvalues --    3.18121   3.18686   3.20297   3.21273   3.24413
 Alpha virt. eigenvalues --    3.25514   3.27453   3.29810   3.30021   3.33890
 Alpha virt. eigenvalues --    3.36664   3.39538   3.46637   3.55681   3.64380
 Alpha virt. eigenvalues --    3.68613   3.72376   3.86818   3.89298   4.01251
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.494362  -1.467047  -0.746427  -0.003415  -0.755820   0.545752
     2  C   -1.467047   8.122347  -0.189393  -0.572372   0.569799  -0.194656
     3  C   -0.746427  -0.189393  10.624073  -1.077201  -0.365154  -0.649922
     4  C   -0.003415  -0.572372  -1.077201  13.081564  -1.383184  -0.771222
     5  C   -0.755820   0.569799  -0.365154  -1.383184  13.714769  -1.482862
     6  C    0.545752  -0.194656  -0.649922  -0.771222  -1.482862  10.036200
     7  C    0.230259   0.010207  -0.873686  -1.743622  -0.035183   0.322639
     8  C    0.027537   0.007119   0.092535   0.270767  -0.848061   0.090393
     9  C    0.004067  -0.000265   0.109888  -1.077602   0.168789   0.221414
    10  C    0.097381   0.063433   0.100914   0.187813  -2.557167  -0.660395
    11  C   -0.000829  -0.000323  -0.000535   0.127307   0.113768  -0.004714
    12  O    0.135368   0.079426   0.077879   0.075398  -0.006525  -0.024024
    13  C    0.083290  -0.067350  -0.004864  -0.001713   0.005525   0.020532
    14  H   -0.717551  -0.411174   0.028962   0.170175   0.046130  -0.406805
    15  H   -1.009606   0.170505  -0.795862  -0.070296   0.034133   0.107491
    16  H    0.136865  -0.586922   0.117680   0.044997  -0.236083  -0.843471
    17  H    0.044431  -0.016566  -0.269447  -0.802421  -0.028145  -0.013913
    18  H   -0.003084  -0.000034   0.014529   0.026114   0.289274  -0.008123
    19  H   -0.008039   0.030584  -0.024739   0.085154  -0.844006  -0.174554
    20  H   -0.000016  -0.000022   0.000084   0.014050   0.025352   0.000619
    21  C   -0.000062   0.000088  -0.000266  -0.002745  -0.007006   0.001275
    22  C    0.000113  -0.000060  -0.000661   0.001815  -0.026380  -0.000359
    23  H    0.044109   0.040584   0.001121   0.000217  -0.001439   0.000430
    24  H   -0.040326   0.014345   0.009569  -0.001633   0.000969  -0.002091
    25  H   -0.041612   0.013886   0.009451  -0.001468   0.000859  -0.001635
    26  H   -0.000019   0.000001   0.000029   0.000119   0.000338   0.000372
    27  H    0.000040  -0.000058  -0.000116  -0.000553   0.001212  -0.001538
    28  H    0.000000   0.000000  -0.000009  -0.000541  -0.002055  -0.000109
    29  O    0.000016   0.000023   0.000099  -0.001399  -0.001952  -0.000225
    30  O   -0.000106   0.000059   0.000037   0.005402   0.027297   0.002476
    31  H   -0.000002   0.000000  -0.000003  -0.000291  -0.001171   0.000277
               7          8          9         10         11         12
     1  C    0.230259   0.027537   0.004067   0.097381  -0.000829   0.135368
     2  C    0.010207   0.007119  -0.000265   0.063433  -0.000323   0.079426
     3  C   -0.873686   0.092535   0.109888   0.100914  -0.000535   0.077879
     4  C   -1.743622   0.270767  -1.077602   0.187813   0.127307   0.075398
     5  C   -0.035183  -0.848061   0.168789  -2.557167   0.113768  -0.006525
     6  C    0.322639   0.090393   0.221414  -0.660395  -0.004714  -0.024024
     7  C    9.922189  -0.770194   0.667205  -0.666300   0.038867  -0.018142
     8  C   -0.770194  10.245161  -0.898761  -0.126235  -0.722628  -0.001481
     9  C    0.667205  -0.898761  12.293570  -1.601905  -0.033875  -0.001479
    10  C   -0.666300  -0.126235  -1.601905  11.770256  -0.519751  -0.001573
    11  C    0.038867  -0.722628  -0.033875  -0.519751   6.923183   0.000009
    12  O   -0.018142  -0.001481  -0.001479  -0.001573   0.000009   8.294592
    13  C    0.000249   0.000022  -0.000133  -0.000066  -0.000003   0.178955
    14  H   -0.003015  -0.000352  -0.000967   0.018593   0.000043  -0.244981
    15  H   -0.037597   0.040461  -0.016058   0.000725  -0.000324   0.072576
    16  H   -0.032774  -0.009945   0.020717  -0.216926   0.002018   0.010761
    17  H   -0.544176  -0.786747   0.127104   0.214009   0.024462  -0.001377
    18  H   -0.665141  -0.138789  -1.325779   0.104392  -0.366477   0.000154
    19  H    0.228432   0.055472  -1.602370  -0.020282  -0.214999   0.000241
    20  H    0.022500  -0.164865  -0.393984   0.202251   0.183357  -0.000001
    21  C    0.003029   0.040361  -0.009288  -0.112729   0.333698  -0.000001
    22  C   -0.008699  -0.033016   0.063617  -0.052027   0.092454   0.000000
    23  H    0.000051  -0.000001  -0.000001   0.000032   0.000000  -0.200603
    24  H   -0.000138   0.000005  -0.000008  -0.000004  -0.000000   0.075173
    25  H   -0.000131   0.000005  -0.000008  -0.000019  -0.000000   0.074980
    26  H   -0.000943   0.026062  -0.021142  -0.024721   0.111236   0.000000
    27  H    0.000875  -0.001552  -0.002589  -0.023784   0.101260   0.000000
    28  H   -0.000088  -0.014562  -0.009000  -0.012637   0.151539   0.000000
    29  O    0.003897  -0.024657   0.024867  -0.020672  -0.105478   0.000000
    30  O    0.005146  -0.004129   0.026965  -0.114395  -0.189232  -0.000004
    31  H   -0.000146   0.001297  -0.013742   0.005264   0.029577   0.000000
              13         14         15         16         17         18
     1  C    0.083290  -0.717551  -1.009606   0.136865   0.044431  -0.003084
     2  C   -0.067350  -0.411174   0.170505  -0.586922  -0.016566  -0.000034
     3  C   -0.004864   0.028962  -0.795862   0.117680  -0.269447   0.014529
     4  C   -0.001713   0.170175  -0.070296   0.044997  -0.802421   0.026114
     5  C    0.005525   0.046130   0.034133  -0.236083  -0.028145   0.289274
     6  C    0.020532  -0.406805   0.107491  -0.843471  -0.013913  -0.008123
     7  C    0.000249  -0.003015  -0.037597  -0.032774  -0.544176  -0.665141
     8  C    0.000022  -0.000352   0.040461  -0.009945  -0.786747  -0.138789
     9  C   -0.000133  -0.000967  -0.016058   0.020717   0.127104  -1.325779
    10  C   -0.000066   0.018593   0.000725  -0.216926   0.214009   0.104392
    11  C   -0.000003   0.000043  -0.000324   0.002018   0.024462  -0.366477
    12  O    0.178955  -0.244981   0.072576   0.010761  -0.001377   0.000154
    13  C    4.193850  -0.056888  -0.017280   0.000451   0.000031  -0.000002
    14  H   -0.056888   2.706135   0.015415  -0.143075   0.000277   0.000007
    15  H   -0.017280   0.015415   2.452912  -0.014066  -0.109988  -0.002099
    16  H    0.000451  -0.143075  -0.014066   2.872829   0.001716   0.000282
    17  H    0.000031   0.000277  -0.109988   0.001716   3.445735  -0.727762
    18  H   -0.000002   0.000007  -0.002099   0.000282  -0.727762   3.552935
    19  H    0.000004  -0.000507   0.002869  -0.314885  -0.020723   0.041351
    20  H   -0.000000  -0.000000  -0.000012   0.000065   0.000895   0.002764
    21  C   -0.000000  -0.000009  -0.000014   0.001302  -0.000086  -0.027892
    22  C    0.000000  -0.000005  -0.000035   0.000001   0.001200  -0.050221
    23  H    0.466901   0.052644  -0.002956  -0.000085   0.000002   0.000000
    24  H    0.245881  -0.032541   0.002861  -0.000892  -0.000011  -0.000000
    25  H    0.246095  -0.031371   0.002919  -0.000840  -0.000010  -0.000000
    26  H   -0.000000  -0.000001  -0.000000   0.000115  -0.000343   0.008519
    27  H    0.000000  -0.000001  -0.000000  -0.001571   0.000081  -0.001094
    28  H    0.000000   0.000000   0.000000  -0.000043   0.000008  -0.003556
    29  O    0.000000   0.000001   0.000012  -0.000050   0.000029  -0.010199
    30  O   -0.000000  -0.000025  -0.000005   0.000876  -0.000029  -0.002983
    31  H    0.000000   0.000000  -0.000000   0.000009   0.000003   0.000426
              19         20         21         22         23         24
     1  C   -0.008039  -0.000016  -0.000062   0.000113   0.044109  -0.040326
     2  C    0.030584  -0.000022   0.000088  -0.000060   0.040584   0.014345
     3  C   -0.024739   0.000084  -0.000266  -0.000661   0.001121   0.009569
     4  C    0.085154   0.014050  -0.002745   0.001815   0.000217  -0.001633
     5  C   -0.844006   0.025352  -0.007006  -0.026380  -0.001439   0.000969
     6  C   -0.174554   0.000619   0.001275  -0.000359   0.000430  -0.002091
     7  C    0.228432   0.022500   0.003029  -0.008699   0.000051  -0.000138
     8  C    0.055472  -0.164865   0.040361  -0.033016  -0.000001   0.000005
     9  C   -1.602370  -0.393984  -0.009288   0.063617  -0.000001  -0.000008
    10  C   -0.020282   0.202251  -0.112729  -0.052027   0.000032  -0.000004
    11  C   -0.214999   0.183357   0.333698   0.092454   0.000000  -0.000000
    12  O    0.000241  -0.000001  -0.000001   0.000000  -0.200603   0.075173
    13  C    0.000004  -0.000000  -0.000000   0.000000   0.466901   0.245881
    14  H   -0.000507  -0.000000  -0.000009  -0.000005   0.052644  -0.032541
    15  H    0.002869  -0.000012  -0.000014  -0.000035  -0.002956   0.002861
    16  H   -0.314885   0.000065   0.001302   0.000001  -0.000085  -0.000892
    17  H   -0.020723   0.000895  -0.000086   0.001200   0.000002  -0.000011
    18  H    0.041351   0.002764  -0.027892  -0.050221   0.000000  -0.000000
    19  H    3.813402   0.043017  -0.024755  -0.033293  -0.000000   0.000002
    20  H    0.043017   1.390551  -0.194446  -0.138529   0.000000  -0.000000
    21  C   -0.024755  -0.194446   4.275759   0.045210  -0.000000   0.000000
    22  C   -0.033293  -0.138529   0.045210   5.093289   0.000000   0.000000
    23  H   -0.000000   0.000000  -0.000000   0.000000   1.414882  -0.181683
    24  H    0.000002  -0.000000   0.000000   0.000000  -0.181683   0.697120
    25  H    0.000001  -0.000000   0.000000   0.000000  -0.181939   0.032189
    26  H   -0.022107  -0.006664   0.218012   0.017713  -0.000000  -0.000000
    27  H    0.013273  -0.000415   0.265350  -0.022971  -0.000000   0.000000
    28  H   -0.008111  -0.020400   0.252831  -0.005061   0.000000   0.000000
    29  O   -0.004379  -0.062101   0.005673   0.596091   0.000000   0.000000
    30  O   -0.020818  -0.021151   0.003221   0.301714  -0.000000  -0.000000
    31  H    0.000661   0.000657   0.005563   0.060626   0.000000  -0.000000
              25         26         27         28         29         30
     1  C   -0.041612  -0.000019   0.000040   0.000000   0.000016  -0.000106
     2  C    0.013886   0.000001  -0.000058   0.000000   0.000023   0.000059
     3  C    0.009451   0.000029  -0.000116  -0.000009   0.000099   0.000037
     4  C   -0.001468   0.000119  -0.000553  -0.000541  -0.001399   0.005402
     5  C    0.000859   0.000338   0.001212  -0.002055  -0.001952   0.027297
     6  C   -0.001635   0.000372  -0.001538  -0.000109  -0.000225   0.002476
     7  C   -0.000131  -0.000943   0.000875  -0.000088   0.003897   0.005146
     8  C    0.000005   0.026062  -0.001552  -0.014562  -0.024657  -0.004129
     9  C   -0.000008  -0.021142  -0.002589  -0.009000   0.024867   0.026965
    10  C   -0.000019  -0.024721  -0.023784  -0.012637  -0.020672  -0.114395
    11  C   -0.000000   0.111236   0.101260   0.151539  -0.105478  -0.189232
    12  O    0.074980   0.000000   0.000000   0.000000   0.000000  -0.000004
    13  C    0.246095  -0.000000   0.000000   0.000000   0.000000  -0.000000
    14  H   -0.031371  -0.000001  -0.000001   0.000000   0.000001  -0.000025
    15  H    0.002919  -0.000000  -0.000000   0.000000   0.000012  -0.000005
    16  H   -0.000840   0.000115  -0.001571  -0.000043  -0.000050   0.000876
    17  H   -0.000010  -0.000343   0.000081   0.000008   0.000029  -0.000029
    18  H   -0.000000   0.008519  -0.001094  -0.003556  -0.010199  -0.002983
    19  H    0.000001  -0.022107   0.013273  -0.008111  -0.004379  -0.020818
    20  H   -0.000000  -0.006664  -0.000415  -0.020400  -0.062101  -0.021151
    21  C    0.000000   0.218012   0.265350   0.252831   0.005673   0.003221
    22  C    0.000000   0.017713  -0.022971  -0.005061   0.596091   0.301714
    23  H   -0.181939  -0.000000  -0.000000   0.000000   0.000000  -0.000000
    24  H    0.032189  -0.000000   0.000000   0.000000   0.000000  -0.000000
    25  H    0.697623   0.000000   0.000000   0.000000   0.000000   0.000000
    26  H    0.000000   0.719861  -0.019094  -0.076068  -0.002892   0.007021
    27  H    0.000000  -0.019094   0.775062  -0.053235  -0.000244   0.018362
    28  H    0.000000  -0.076068  -0.053235   0.758641   0.004111  -0.026862
    29  O    0.000000  -0.002892  -0.000244   0.004111   7.829325  -0.055744
    30  O    0.000000   0.007021   0.018362  -0.026862  -0.055744   8.080786
    31  H    0.000000  -0.000171   0.000954   0.002524  -0.040877   0.185404
              31
     1  C   -0.000002
     2  C    0.000000
     3  C   -0.000003
     4  C   -0.000291
     5  C   -0.001171
     6  C    0.000277
     7  C   -0.000146
     8  C    0.001297
     9  C   -0.013742
    10  C    0.005264
    11  C    0.029577
    12  O    0.000000
    13  C    0.000000
    14  H    0.000000
    15  H   -0.000000
    16  H    0.000009
    17  H    0.000003
    18  H    0.000426
    19  H    0.000661
    20  H    0.000657
    21  C    0.005563
    22  C    0.060626
    23  H    0.000000
    24  H   -0.000000
    25  H    0.000000
    26  H   -0.000171
    27  H    0.000954
    28  H    0.002524
    29  O   -0.040877
    30  O    0.185404
    31  H    0.624911
 Mulliken charges:
               1
     1  C   -0.049629
     2  C    0.383833
     3  C   -0.188563
     4  C   -0.579215
     5  C   -0.416020
     6  C   -0.109254
     7  C   -0.055572
     8  C   -0.351223
     9  C   -0.719249
    10  C   -0.033474
    11  C   -0.073610
    12  O   -0.575324
    13  C    0.706514
    14  H    0.010886
    15  H    0.173318
    16  H    0.190942
    17  H    0.461758
    18  H    0.292488
    19  H    0.024102
    20  H    0.116443
    21  C    0.927927
    22  C    0.097471
    23  H   -0.452266
    24  H    0.181214
    25  H    0.181024
    26  H    0.064767
    27  H   -0.047655
    28  H    0.062681
    29  O   -0.133276
    30  O   -0.229285
    31  H    0.138246
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.049629
     2  C    0.394720
     3  C   -0.015245
     4  C   -0.579215
     5  C   -0.416020
     6  C    0.081688
     7  C    0.406186
     8  C   -0.058735
     9  C   -0.719249
    10  C   -0.009372
    11  C    0.042833
    12  O   -0.575324
    13  C    0.616486
    21  C    1.007720
    22  C    0.097471
    29  O   -0.133276
    30  O   -0.091039
 Electronic spatial extent (au):  <R**2>=           5462.3415
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.8913    Y=             -2.4394    Z=              1.3219  Tot=              3.3578
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -91.4293   YY=            -90.7050   ZZ=           -103.9071
   XY=             -1.6104   XZ=             -7.1214   YZ=              4.0464
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.9179   YY=              4.6421   ZZ=             -8.5600
   XY=             -1.6104   XZ=             -7.1214   YZ=              4.0464
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            103.4982  YYY=             -2.4445  ZZZ=             -9.0879  XYY=             -2.6256
  XXY=            -67.4036  XXZ=             23.6220  XZZ=             -4.8952  YZZ=            -15.2822
  YYZ=             -9.4340  XYZ=            -20.8155
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5421.1153 YYYY=           -771.9188 ZZZZ=           -445.2881 XXXY=            -40.0946
 XXXZ=           -138.2451 YYYX=             29.1363 YYYZ=             11.5882 ZZZX=             15.2565
 ZZZY=             28.3929 XXYY=          -1055.0450 XXZZ=          -1087.4320 YYZZ=           -209.8294
 XXYZ=             97.5561 YYXZ=             32.3137 ZZXY=             50.2541
 N-N= 1.132708260200D+03 E-N=-4.047415289945D+03  KE= 7.579281515218D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep 29 13:19:00 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.85317116D-01-9.09046616D-01 4.60014775D-01
 Polarizability= 2.70359522D+02-1.56599650D+01 1.67802612D+02
                -7.41308291D+00-4.46928583D+00 1.13059248D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        4.0168    4.0119       -9.3892   -9.3975
 2     -4.0168   -4.0119        2.5894    2.5913      -54.4298  -54.4173
 3      9.3892    9.3975       83.7138   83.7040       -2.5977   -2.5913
 4     -2.5894   -2.5913       -0.0000    0.0000        9.3938    9.3975
 5    -29.2840  -29.2867       -9.3938   -9.3975        4.0118    4.0119
 6      2.5977    2.5913       -4.0118   -4.0119       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000      -12.0358  -12.0358      -28.1927  -28.1926
 2     -7.7739   -7.7739        0.0000    0.0000      -28.1926  -28.1926
 3     -7.7739   -7.7739      -12.0358  -12.0358       -0.0000    0.0000
 4    -12.0358  -12.0358        7.7739    7.7739     -163.2520 -163.2520
 5     28.1926   28.1926      251.1120  251.1120       -7.7739   -7.7739
 6    -87.8600  -87.8600      -28.1927  -28.1926       12.0358   12.0358
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2026    0.0000      -15.8238  -16.0477       37.3465   37.5902
 2     16.0320   16.0477      -10.9096  -10.3652      216.2114  217.6693
 3    -37.1660  -37.5902     -334.4245 -334.8160        9.8436   10.3652
 4     10.0287   10.3652       -0.0637    0.0000      -37.1253  -37.5902
 5    117.1960  117.1467       38.1395   37.5902      -16.0033  -16.0477
 6    -10.6975  -10.3652       16.8955   16.0477       -0.3725    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.4232    0.0000      102.8602  102.4995       57.5014   57.8522
 2   -101.2843 -102.4995      -68.2045  -68.0534       25.5621   25.9688
 3    -58.1595  -57.8522      -32.7191  -33.9050       67.8503   68.0534
 4     67.4095   68.0534        0.1652    0.0000      -57.6426  -57.8522
 5      6.8233    7.9362       57.6083   57.8522      101.3618  102.4995
 6    -67.7600  -68.0534     -102.7210 -102.4995        0.2070    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     58.7088   59.0501       35.0821   35.0029      -28.9466  -28.6466
 2    168.4479  169.4546      122.2833  121.9543      -28.8167  -28.6466
 3    168.4558  169.4546       35.2248   35.0029      -95.5622  -95.4942
 4    -85.9288  -86.9515     -109.4693 -110.4045       12.1389   12.9150
 5    -66.2492  -66.8476      -21.0229  -22.1577      111.2128  110.4045
 6      8.3449    9.2427       65.5463   66.8476       84.1418   86.9515
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6532   -2.7523    0.0003    0.0005    0.0006    1.6950
 Low frequencies ---   13.8199   39.0318   49.3098
 Diagonal vibrational polarizability:
       46.2960990      24.0401293      36.5759428
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     13.7814                39.0304                49.3078
 Red. masses --      4.4733                 6.8440                 6.3200
 Frc consts  --      0.0005                 0.0061                 0.0091
 IR Inten    --      0.1492                 0.7172                 1.3348
 RamAct Fr= 1--      5.7122                 2.2181                 0.8508
  Dep-P Fr= 1--      0.7500                 0.7441                 0.7484
  Dep-U Fr= 1--      0.8571                 0.8533                 0.8561
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.8160                 0.3154                 0.1214
 AlphaG Fr= 1--      0.0002                 0.0018                 0.0015
 Gamma2 Fr= 1--     -1.0979                -2.0330                 1.9609
 Delta2 Fr= 1--     -0.7624                -0.8067                 0.3953
 Raman1 Fr= 1--      22.849                  8.872                  3.403
 ROA1   Fr= 1--    -129.793               -220.985                200.892
 CID1   Fr= 1--      -5.681                -24.907                 59.032
 Raman2 Fr= 1--       9.792                  3.785                  1.457
 ROA2   Fr= 1--     -20.249                -42.339                 43.899
 CID2   Fr= 1--      -2.068                -11.186                 30.136
 Raman3 Fr= 1--      19.584                  7.570                  2.913
 ROA3   Fr= 1--    -129.793               -220.985                200.892
 CID3   Fr= 1--      -6.627                -29.191                 68.956
 RC180  Fr= 1--       0.714                  0.707                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.02    -0.03   0.01  -0.01    -0.01  -0.02   0.04
     2   6     0.03   0.01   0.14    -0.02   0.01   0.07    -0.02  -0.01   0.07
     3   6    -0.02  -0.02  -0.11    -0.03   0.01   0.01     0.01  -0.00   0.06
     4   6    -0.01  -0.03  -0.07    -0.03   0.01   0.08     0.01   0.02   0.09
     5   6     0.02  -0.02   0.09    -0.02   0.01   0.14    -0.00   0.03   0.10
     6   6     0.04   0.00   0.18    -0.01   0.02   0.15    -0.02   0.01   0.11
     7   6    -0.03  -0.05  -0.16    -0.03   0.01   0.07     0.02   0.02   0.07
     8   6    -0.03  -0.06  -0.11    -0.03   0.00   0.07     0.01   0.03   0.03
     9   6     0.00  -0.05   0.04    -0.02   0.01   0.10    -0.00   0.04   0.01
    10   6     0.02  -0.03   0.13    -0.02   0.01   0.15    -0.01   0.04   0.07
    11   6     0.01  -0.06   0.06    -0.03  -0.01   0.01    -0.01   0.04  -0.07
    12   8    -0.01   0.01  -0.07    -0.05  -0.00  -0.12    -0.01  -0.04  -0.03
    13   6     0.02   0.03   0.03    -0.06  -0.01  -0.28    -0.04  -0.07  -0.24
    14   1     0.05   0.03   0.21    -0.02   0.01   0.06    -0.03  -0.01   0.07
    15   1    -0.04  -0.02  -0.23    -0.04   0.00  -0.05     0.02  -0.01   0.03
    16   1     0.06   0.01   0.30    -0.01   0.02   0.20    -0.03   0.02   0.13
    17   1    -0.06  -0.05  -0.28    -0.04   0.00   0.03     0.03   0.02   0.07
    18   1    -0.04  -0.07  -0.18    -0.04  -0.00   0.04     0.02   0.04  -0.00
    19   1     0.05  -0.02   0.24    -0.01   0.01   0.18    -0.01   0.04   0.07
    20   1     0.01  -0.06   0.18    -0.05  -0.02  -0.03    -0.03   0.04  -0.13
    21   6     0.01  -0.19  -0.02    -0.12  -0.02  -0.03    -0.09   0.09  -0.06
    22   6    -0.01   0.09   0.00     0.12  -0.01  -0.07     0.02  -0.03  -0.05
    23   1     0.00   0.04  -0.04    -0.07  -0.02  -0.41    -0.05  -0.10  -0.35
    24   1     0.01  -0.06   0.11    -0.19   0.01  -0.27    -0.19  -0.00  -0.27
    25   1     0.04   0.14   0.08     0.07  -0.04  -0.29     0.08  -0.15  -0.28
    26   1     0.04  -0.30   0.03    -0.20  -0.01   0.00    -0.13   0.11  -0.05
    27   1    -0.03  -0.20  -0.15    -0.09  -0.01   0.01    -0.08   0.08  -0.00
    28   1     0.01  -0.16  -0.01    -0.12  -0.05  -0.12    -0.09   0.09  -0.12
    29   8    -0.05   0.18   0.09     0.40   0.03  -0.22    -0.26  -0.13   0.05
    30   8     0.01   0.10  -0.16    -0.06  -0.04   0.04     0.37   0.02  -0.14
    31   1     0.00   0.19  -0.18     0.09  -0.03  -0.02     0.33  -0.03  -0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --     74.5962               115.8049               139.2808
 Red. masses --      3.9686                 5.1213                 3.8393
 Frc consts  --      0.0130                 0.0405                 0.0439
 IR Inten    --      2.0603                 0.7265                 0.6041
 RamAct Fr= 1--      1.2924                 0.6982                 1.5428
  Dep-P Fr= 1--      0.7465                 0.4981                 0.6363
  Dep-U Fr= 1--      0.8549                 0.6650                 0.7777
 Alpha2 Fr= 1--      0.0001                 0.0035                 0.0032
 Beta2  Fr= 1--      0.1841                 0.0774                 0.2000
 AlphaG Fr= 1--      0.0025                -0.0278                 0.0131
 Gamma2 Fr= 1--     -0.5282                -1.1443                 2.4839
 Delta2 Fr= 1--      0.0587                -0.6056                 1.5918
 Raman1 Fr= 1--       5.170                  2.793                  6.171
 ROA1   Fr= 1--     -48.826               -129.235                289.393
 CID1   Fr= 1--      -9.445                -46.272                 46.894
 Raman2 Fr= 1--       2.210                  0.929                  2.400
 ROA2   Fr= 1--     -13.146                -22.619                 46.880
 CID2   Fr= 1--      -5.950                -24.356                 19.535
 Raman3 Fr= 1--       4.419                  1.857                  4.800
 ROA3   Fr= 1--     -48.826               -129.235                289.393
 CID3   Fr= 1--     -11.049                -69.580                 60.296
 RC180  Fr= 1--       0.710                  0.330                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.13    -0.05  -0.00   0.04    -0.01   0.01   0.01
     2   6    -0.04  -0.02  -0.11    -0.08  -0.00  -0.04    -0.04   0.04   0.08
     3   6    -0.03  -0.01  -0.09    -0.04   0.01  -0.06     0.03   0.06   0.04
     4   6    -0.02   0.01  -0.01    -0.05   0.03  -0.12     0.02   0.10   0.05
     5   6    -0.03   0.01   0.01    -0.06   0.04  -0.09     0.00   0.10   0.01
     6   6    -0.04  -0.00  -0.04    -0.09   0.02  -0.11    -0.04   0.08   0.07
     7   6    -0.01   0.02   0.06    -0.05   0.03  -0.16     0.01   0.10   0.07
     8   6    -0.01   0.03   0.11    -0.05   0.05  -0.07    -0.00   0.09   0.01
     9   6    -0.01   0.03   0.09    -0.03   0.06   0.04    -0.00   0.08  -0.07
    10   6    -0.02   0.02   0.06    -0.04   0.06  -0.01     0.01   0.09  -0.07
    11   6    -0.02   0.01   0.03    -0.01  -0.02   0.11     0.02  -0.04  -0.03
    12   8    -0.04  -0.04  -0.20    -0.02  -0.03   0.25    -0.00  -0.09  -0.12
    13   6    -0.01  -0.00   0.25    -0.10  -0.10  -0.03    -0.08  -0.16   0.03
    14   1    -0.05  -0.02  -0.15    -0.10  -0.01  -0.02    -0.06   0.02   0.11
    15   1    -0.02  -0.01  -0.10    -0.01   0.00  -0.03     0.07   0.04   0.02
    16   1    -0.05   0.00  -0.04    -0.12   0.03  -0.13    -0.08   0.10   0.10
    17   1    -0.01   0.02   0.06    -0.06   0.03  -0.22     0.01   0.11   0.12
    18   1    -0.00   0.03   0.14    -0.05   0.05  -0.08    -0.00   0.09   0.03
    19   1    -0.02   0.02   0.05    -0.03   0.06   0.03     0.02   0.09  -0.11
    20   1    -0.04   0.00   0.01    -0.07  -0.05   0.16    -0.07  -0.09   0.06
    21   6    -0.07   0.00   0.01     0.09  -0.12   0.07     0.21  -0.17  -0.05
    22   6     0.08  -0.00  -0.00     0.10  -0.00   0.06    -0.02  -0.05  -0.02
    23   1     0.00  -0.00   0.33    -0.07  -0.13   0.08    -0.05  -0.26  -0.09
    24   1     0.19  -0.22   0.40    -0.17   0.13  -0.22    -0.17  -0.29   0.16
    25   1    -0.19   0.24   0.39    -0.12  -0.35  -0.18    -0.09   0.01   0.13
    26   1    -0.13   0.01   0.03     0.09  -0.15   0.09     0.25  -0.20  -0.05
    27   1    -0.04   0.01   0.03     0.16  -0.09   0.00     0.31  -0.12  -0.16
    28   1    -0.07  -0.02  -0.05     0.10  -0.20   0.11     0.23  -0.30   0.05
    29   8     0.07  -0.03  -0.01     0.16   0.00   0.03    -0.03  -0.05  -0.01
    30   8     0.19   0.01  -0.02     0.21   0.01   0.02    -0.07  -0.06  -0.00
    31   1     0.25   0.00  -0.05     0.32   0.03  -0.04    -0.10  -0.05   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.3410               195.6067               231.0924
 Red. masses --      3.1684                 3.3765                 1.7281
 Frc consts  --      0.0621                 0.0761                 0.0544
 IR Inten    --      0.8368                 0.5546                 0.9944
 RamAct Fr= 1--      0.0900                 1.9643                 0.2596
  Dep-P Fr= 1--      0.7479                 0.6447                 0.3160
  Dep-U Fr= 1--      0.8558                 0.7840                 0.4803
 Alpha2 Fr= 1--      0.0000                 0.0037                 0.0025
 Beta2  Fr= 1--      0.0128                 0.2566                 0.0208
 AlphaG Fr= 1--      0.0004                -0.0131                -0.0001
 Gamma2 Fr= 1--     -0.1243                -2.3452                 0.1571
 Delta2 Fr= 1--     -0.0260                -1.3521                 0.0356
 Raman1 Fr= 1--       0.360                  7.857                  1.038
 ROA1   Fr= 1--     -12.762               -268.404                 16.221
 CID1   Fr= 1--     -35.432                -34.161                 15.620
 Raman2 Fr= 1--       0.154                  3.080                  0.249
 ROA2   Fr= 1--      -2.774                -45.467                  3.485
 CID2   Fr= 1--     -18.001                -14.763                 13.976
 Raman3 Fr= 1--       0.308                  6.160                  0.499
 ROA3   Fr= 1--     -12.762               -268.404                 16.221
 CID3   Fr= 1--     -41.403                -43.575                 32.523
 RC180  Fr= 1--       0.712                  0.568                 -0.039
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.02    -0.05  -0.03   0.05     0.02   0.07   0.01
     2   6     0.01   0.00   0.21    -0.04  -0.05  -0.00     0.03   0.06  -0.00
     3   6    -0.04  -0.04  -0.14    -0.04  -0.04   0.19     0.01   0.06   0.01
     4   6    -0.03  -0.04  -0.11    -0.04  -0.05   0.11     0.00   0.03  -0.00
     5   6    -0.03  -0.04  -0.14    -0.04  -0.06   0.02     0.02   0.02  -0.02
     6   6    -0.01  -0.02   0.05    -0.04  -0.06  -0.00     0.04   0.04  -0.03
     7   6     0.00  -0.01   0.06    -0.01  -0.03  -0.01    -0.03  -0.00  -0.00
     8   6     0.01   0.01   0.17    -0.02  -0.02  -0.14    -0.03  -0.05  -0.00
     9   6    -0.01  -0.01  -0.02    -0.02  -0.01  -0.10    -0.00  -0.06   0.00
    10   6    -0.04  -0.04  -0.20    -0.05  -0.03  -0.05     0.03  -0.04  -0.02
    11   6    -0.00   0.01   0.01     0.01   0.02   0.01    -0.00  -0.03   0.02
    12   8    -0.03   0.02   0.01    -0.09   0.02  -0.10     0.04  -0.00  -0.01
    13   6     0.01   0.05  -0.02     0.00   0.11  -0.01    -0.07  -0.11   0.02
    14   1     0.04   0.03   0.44    -0.03  -0.05  -0.07     0.03   0.07   0.01
    15   1    -0.05  -0.04  -0.20    -0.04  -0.03   0.24    -0.01   0.07   0.02
    16   1     0.01  -0.01   0.14    -0.04  -0.07  -0.05     0.06   0.03  -0.04
    17   1     0.02  -0.01   0.17     0.02  -0.05  -0.02    -0.08   0.01   0.00
    18   1     0.04   0.03   0.38    -0.03  -0.03  -0.24    -0.05  -0.07   0.00
    19   1    -0.06  -0.04  -0.30    -0.08  -0.02  -0.05     0.06  -0.05  -0.02
    20   1     0.01   0.02   0.00     0.01   0.02   0.02     0.04  -0.01  -0.02
    21   6     0.03   0.04   0.03     0.18   0.07   0.09    -0.06   0.05   0.05
    22   6     0.01   0.01   0.01     0.02   0.02   0.01     0.00  -0.02   0.01
    23   1    -0.04   0.06  -0.31    -0.05   0.17  -0.17    -0.04  -0.23  -0.12
    24   1    -0.15  -0.09   0.14     0.01  -0.04   0.12    -0.23  -0.17   0.11
    25   1     0.23   0.20   0.07     0.13   0.27   0.08    -0.05  -0.00   0.08
    26   1     0.06   0.06   0.01     0.48   0.02  -0.01     0.33  -0.14  -0.00
    27   1     0.03   0.04   0.04     0.03   0.01  -0.01    -0.48  -0.12  -0.08
    28   1     0.03   0.04   0.07     0.19   0.22   0.36    -0.08   0.50   0.27
    29   8     0.03   0.02  -0.00     0.07   0.04  -0.01     0.03   0.01   0.02
    30   8     0.05   0.02  -0.01     0.08   0.03  -0.02     0.00  -0.02  -0.04
    31   1     0.08   0.02  -0.02     0.16   0.04  -0.06     0.02   0.02  -0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    232.5516               248.2345               271.7265
 Red. masses --      1.3354                 1.7323                 2.5185
 Frc consts  --      0.0425                 0.0629                 0.1096
 IR Inten    --      0.2266                 0.2440                 0.8921
 RamAct Fr= 1--      1.0138                 0.8178                 1.1273
  Dep-P Fr= 1--      0.6546                 0.2471                 0.6912
  Dep-U Fr= 1--      0.7913                 0.3963                 0.8174
 Alpha2 Fr= 1--      0.0017                 0.0098                 0.0012
 Beta2  Fr= 1--      0.1337                 0.0540                 0.1536
 AlphaG Fr= 1--      0.0028                -0.0061                 0.0147
 Gamma2 Fr= 1--      0.8233                 0.2419                 0.5476
 Delta2 Fr= 1--      0.1517                 0.3010                 0.0213
 Raman1 Fr= 1--       4.055                  3.271                  4.509
 ROA1   Fr= 1--      83.893                 32.853                 53.249
 CID1   Fr= 1--      20.688                 10.043                 11.809
 Raman2 Fr= 1--       1.604                  0.648                  1.843
 ROA2   Fr= 1--      18.546                  3.398                 12.971
 CID2   Fr= 1--      11.560                  5.242                  7.038
 Raman3 Fr= 1--       3.209                  1.297                  3.686
 ROA3   Fr= 1--      83.893                 32.853                 53.249
 CID3   Fr= 1--      26.146                 25.340                 14.447
 RC180  Fr= 1--       0.583                 -0.207                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.04    -0.01   0.04  -0.01     0.02   0.02   0.05
     2   6    -0.01  -0.02   0.00     0.01   0.03   0.02     0.03   0.03   0.09
     3   6    -0.02  -0.02  -0.08    -0.01   0.03  -0.00     0.02   0.02   0.11
     4   6    -0.01  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00   0.02
     5   6    -0.01  -0.00   0.04     0.01  -0.01   0.01    -0.00  -0.01  -0.07
     6   6    -0.01  -0.01   0.05     0.02   0.01   0.03     0.02   0.01   0.02
     7   6     0.01   0.01   0.04    -0.03  -0.01   0.02    -0.01  -0.01  -0.03
     8   6     0.01   0.02   0.05    -0.02  -0.04   0.00    -0.01  -0.02  -0.05
     9   6     0.00   0.02  -0.01     0.00  -0.05  -0.02    -0.01  -0.02  -0.04
    10   6    -0.01   0.01   0.03     0.01  -0.04  -0.03    -0.01  -0.03  -0.14
    11   6     0.00   0.01  -0.02     0.01  -0.04  -0.01    -0.02   0.03   0.04
    12   8    -0.02   0.00   0.02    -0.00   0.01  -0.03     0.01  -0.01  -0.12
    13   6     0.01   0.03  -0.00    -0.07  -0.05   0.01    -0.01  -0.02  -0.01
    14   1    -0.01  -0.02  -0.00     0.02   0.04   0.01     0.03   0.03   0.11
    15   1    -0.01  -0.03  -0.11    -0.03   0.04  -0.01     0.01   0.03   0.13
    16   1    -0.01   0.00   0.09     0.04   0.01   0.05     0.03   0.00   0.03
    17   1     0.03   0.00   0.06    -0.05  -0.00   0.03    -0.02  -0.01  -0.03
    18   1     0.02   0.03   0.08    -0.04  -0.06   0.01    -0.01  -0.02  -0.05
    19   1    -0.02   0.02   0.03     0.03  -0.05  -0.05    -0.01  -0.04  -0.20
    20   1    -0.00   0.00  -0.02     0.02  -0.03  -0.06     0.02   0.04   0.09
    21   6     0.07   0.01  -0.00     0.06   0.10   0.09    -0.11  -0.07  -0.05
    22   6    -0.01  -0.01  -0.02     0.00  -0.03  -0.01     0.00   0.05   0.05
    23   1     0.04   0.10   0.41    -0.00  -0.09   0.33     0.05  -0.00   0.47
    24   1     0.26   0.25  -0.26     0.08   0.11  -0.16     0.28   0.17  -0.25
    25   1    -0.24  -0.24  -0.16    -0.32  -0.22  -0.09    -0.37  -0.25  -0.14
    26   1     0.41  -0.16  -0.06    -0.21   0.41   0.03    -0.15  -0.19   0.03
    27   1    -0.20  -0.10  -0.18     0.36   0.22   0.37    -0.15  -0.09  -0.14
    28   1     0.06   0.29   0.24     0.07  -0.20  -0.03    -0.12  -0.03  -0.14
    29   8    -0.01  -0.02  -0.03     0.03   0.04   0.03     0.01   0.00   0.01
    30   8    -0.01  -0.01  -0.02    -0.01  -0.02  -0.10     0.06   0.05   0.13
    31   1    -0.01  -0.01  -0.02    -0.02   0.05  -0.12     0.12  -0.02   0.13
                     13                     14                     15
                      A                      A                      A
 Frequencies --    304.4287               350.6857               394.0340
 Red. masses --      4.1539                 4.9942                 5.2777
 Frc consts  --      0.2268                 0.3619                 0.4828
 IR Inten    --      0.3516                 1.1133                 0.5238
 RamAct Fr= 1--      6.0855                 8.9062                 0.5371
  Dep-P Fr= 1--      0.1104                 0.2141                 0.5162
  Dep-U Fr= 1--      0.1988                 0.3527                 0.6809
 Alpha2 Fr= 1--      0.1039                 0.1165                 0.0025
 Beta2  Fr= 1--      0.2017                 0.5236                 0.0610
 AlphaG Fr= 1--      0.0748                -0.0147                 0.0226
 Gamma2 Fr= 1--     -0.4360                 0.1909                -0.3724
 Delta2 Fr= 1--     -0.4697                 0.4289                -0.9041
 Raman1 Fr= 1--      24.342                 35.625                  2.149
 ROA1   Fr= 1--     -56.890                 32.048                -64.682
 CID1   Fr= 1--      -2.337                  0.900                -30.105
 Raman2 Fr= 1--       2.420                  6.283                  0.731
 ROA2   Fr= 1--      -6.707                  1.149                 -1.704
 CID2   Fr= 1--      -2.772                  0.183                 -2.330
 Raman3 Fr= 1--       4.840                 12.567                  1.463
 ROA3   Fr= 1--     -56.890                 32.048                -64.682
 CID3   Fr= 1--     -11.755                  2.550                -44.216
 RC180  Fr= 1--      -0.602                 -0.295                  0.362
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.09   0.05     0.10   0.03  -0.06     0.07   0.07   0.15
     2   6    -0.04  -0.05   0.06     0.03   0.06  -0.05     0.05   0.06   0.08
     3   6     0.08  -0.03   0.07     0.03   0.01  -0.07     0.01   0.01   0.16
     4   6     0.03   0.08  -0.02    -0.01   0.01   0.03    -0.02  -0.10  -0.11
     5   6    -0.02   0.10  -0.06    -0.04   0.02   0.05    -0.04  -0.08  -0.08
     6   6    -0.07   0.05  -0.01     0.03   0.06   0.03     0.03  -0.04  -0.12
     7   6    -0.02   0.07  -0.05    -0.10  -0.05   0.08     0.02  -0.08  -0.20
     8   6    -0.03   0.06  -0.01    -0.12  -0.08  -0.01     0.04   0.06   0.17
     9   6    -0.05   0.06   0.03    -0.15  -0.07  -0.05    -0.02   0.09   0.23
    10   6    -0.02   0.09  -0.06    -0.08  -0.03   0.01    -0.06   0.04   0.13
    11   6    -0.06  -0.09   0.06    -0.19   0.03   0.03    -0.06   0.05   0.02
    12   8     0.04  -0.11  -0.05     0.17  -0.07   0.03     0.05   0.04  -0.11
    13   6     0.23   0.05  -0.03     0.21  -0.08  -0.01    -0.02  -0.03  -0.01
    14   1    -0.08  -0.10   0.09     0.00   0.04  -0.06     0.06   0.06   0.07
    15   1     0.16  -0.06   0.08    -0.02   0.04  -0.08    -0.08   0.05   0.20
    16   1    -0.15   0.08  -0.02     0.08   0.05   0.04     0.11  -0.08  -0.21
    17   1    -0.05   0.08  -0.08    -0.17  -0.01   0.13     0.08  -0.13  -0.38
    18   1    -0.02   0.08  -0.02    -0.10  -0.07  -0.02     0.11   0.12   0.24
    19   1     0.00   0.08  -0.08    -0.01  -0.05   0.02    -0.13   0.06   0.11
    20   1    -0.13  -0.11  -0.01    -0.14   0.04   0.13    -0.13   0.02   0.02
    21   6    -0.12   0.01   0.12     0.07  -0.02   0.10     0.08   0.00   0.05
    22   6    -0.00  -0.10   0.03    -0.14   0.08  -0.02    -0.04   0.01  -0.07
    23   1     0.15   0.25   0.08     0.18  -0.03  -0.08     0.04  -0.12   0.11
    24   1     0.43   0.07  -0.10     0.19  -0.09   0.01     0.00  -0.01  -0.04
    25   1     0.25  -0.02  -0.07     0.29  -0.06   0.00    -0.18  -0.04  -0.02
    26   1    -0.07   0.03   0.09     0.13   0.08   0.02     0.20   0.01  -0.01
    27   1    -0.23  -0.04   0.20     0.26   0.06   0.06     0.15   0.04  -0.03
    28   1    -0.13   0.15   0.12     0.10  -0.22   0.29     0.10  -0.08   0.22
    29   8     0.05   0.01   0.08    -0.03  -0.01  -0.17    -0.06  -0.08  -0.13
    30   8    -0.05  -0.10  -0.16     0.06   0.11   0.07    -0.04   0.01  -0.07
    31   1    -0.04   0.06  -0.22     0.35   0.00  -0.02    -0.07   0.04  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.0250               422.8950               468.1367
 Red. masses --      3.3019                 4.3421                 4.8720
 Frc consts  --      0.3383                 0.4575                 0.6291
 IR Inten    --      0.0888                 0.8879                 3.3294
 RamAct Fr= 1--      2.2271                 0.7026                 1.4031
  Dep-P Fr= 1--      0.7448                 0.2920                 0.1879
  Dep-U Fr= 1--      0.8537                 0.4520                 0.3164
 Alpha2 Fr= 1--      0.0002                 0.0074                 0.0197
 Beta2  Fr= 1--      0.3169                 0.0529                 0.0740
 AlphaG Fr= 1--     -0.0018                -0.0062                 0.0097
 Gamma2 Fr= 1--     -0.2749                -0.4009                 0.3645
 Delta2 Fr= 1--      0.1485                 0.2283                 0.1006
 Raman1 Fr= 1--       8.908                  2.810                  5.613
 ROA1   Fr= 1--     -21.636                -31.177                 38.214
 CID1   Fr= 1--      -2.429                -11.094                  6.809
 Raman2 Fr= 1--       3.803                  0.635                  0.888
 ROA2   Fr= 1--      -7.785                -11.447                  7.943
 CID2   Fr= 1--      -2.047                -18.021                  8.946
 Raman3 Fr= 1--       7.605                  1.270                  1.776
 ROA3   Fr= 1--     -21.636                -31.177                 38.214
 CID3   Fr= 1--      -2.845                -24.542                 21.520
 RC180  Fr= 1--       0.707                 -0.096                 -0.367
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.10     0.08   0.06  -0.07     0.02   0.11   0.01
     2   6    -0.01  -0.01  -0.20     0.06   0.06  -0.02    -0.05   0.14  -0.00
     3   6     0.01   0.01   0.10    -0.02  -0.04  -0.07    -0.10   0.05   0.02
     4   6    -0.00  -0.02  -0.03     0.01  -0.15   0.08    -0.13  -0.07   0.00
     5   6     0.00  -0.00   0.09    -0.06  -0.12   0.04    -0.12  -0.07   0.03
     6   6     0.03   0.02   0.24     0.06  -0.06   0.02    -0.03   0.01  -0.01
     7   6    -0.01  -0.02  -0.17     0.12  -0.07   0.10    -0.10  -0.04  -0.02
     8   6     0.02   0.03   0.13     0.05   0.14  -0.13    -0.08   0.02   0.04
     9   6    -0.00   0.02   0.01    -0.07   0.17  -0.09    -0.01   0.02   0.01
    10   6    -0.03  -0.01  -0.17    -0.13   0.09  -0.05    -0.11  -0.06   0.04
    11   6    -0.01   0.00   0.01    -0.09   0.01   0.06     0.09   0.05  -0.11
    12   8     0.01   0.01   0.05     0.10   0.11   0.01     0.10  -0.08  -0.01
    13   6    -0.00  -0.00   0.01    -0.05  -0.03   0.01     0.18  -0.09  -0.01
    14   1    -0.03  -0.03  -0.32     0.07   0.07   0.01    -0.02   0.16  -0.03
    15   1     0.02   0.03   0.31    -0.17   0.01  -0.09    -0.26   0.11   0.02
    16   1     0.06   0.04   0.45     0.20  -0.11   0.03     0.09  -0.04  -0.05
    17   1    -0.01  -0.05  -0.34     0.30  -0.12   0.16    -0.05  -0.06  -0.04
    18   1     0.04   0.05   0.26     0.18   0.24  -0.23    -0.10  -0.00   0.06
    19   1    -0.07  -0.02  -0.40    -0.28   0.15  -0.02    -0.19  -0.03   0.02
    20   1    -0.02  -0.00   0.00    -0.21  -0.04   0.04     0.04   0.03  -0.23
    21   6    -0.01  -0.00   0.01    -0.08  -0.05   0.05     0.07   0.07  -0.20
    22   6     0.00  -0.00   0.00    -0.02  -0.06   0.06     0.14  -0.04   0.02
    23   1    -0.01  -0.03  -0.09     0.03  -0.21  -0.00     0.14   0.01  -0.01
    24   1    -0.08  -0.02   0.05    -0.18  -0.01   0.03     0.24  -0.09  -0.02
    25   1     0.05   0.03   0.03    -0.14  -0.01   0.02     0.23  -0.09  -0.01
    26   1    -0.00  -0.01   0.01    -0.10  -0.10   0.09     0.07   0.01  -0.16
    27   1    -0.01  -0.01  -0.00    -0.10  -0.06   0.01     0.05   0.07  -0.26
    28   1    -0.01   0.01   0.01    -0.08  -0.04   0.01     0.07   0.08  -0.23
    29   8     0.00  -0.00   0.00     0.05  -0.00   0.06     0.05   0.07   0.18
    30   8    -0.00  -0.01  -0.01    -0.01  -0.06  -0.06     0.01  -0.08   0.02
    31   1     0.00   0.01  -0.01     0.10   0.07  -0.15    -0.30  -0.10   0.16
                     19                     20                     21
                      A                      A                      A
 Frequencies --    483.1789               535.1604               557.3698
 Red. masses --      2.5469                 6.3494                 3.3755
 Frc consts  --      0.3503                 1.0714                 0.6178
 IR Inten    --     14.5977                 2.4527                 6.3802
 RamAct Fr= 1--      0.0669                15.1008                 4.1572
  Dep-P Fr= 1--      0.6138                 0.4044                 0.1716
  Dep-U Fr= 1--      0.7607                 0.5759                 0.2929
 Alpha2 Fr= 1--      0.0002                 0.1101                 0.0608
 Beta2  Fr= 1--      0.0085                 1.4494                 0.2030
 AlphaG Fr= 1--      0.0003                 0.0641                -0.0744
 Gamma2 Fr= 1--      0.3061                 0.0794                 0.1435
 Delta2 Fr= 1--      0.0947                 0.2203                 0.0957
 Raman1 Fr= 1--       0.268                 60.403                 16.629
 ROA1   Fr= 1--      32.418                 14.668                 16.842
 CID1   Fr= 1--     121.148                  0.243                  1.013
 Raman2 Fr= 1--       0.102                 17.393                  2.435
 ROA2   Fr= 1--       6.589                  0.142                  2.679
 CID2   Fr= 1--      64.740                  0.008                  1.100
 Raman3 Fr= 1--       0.204                 34.786                  4.871
 ROA3   Fr= 1--      32.418                 14.668                 16.842
 CID3   Fr= 1--     159.267                  0.422                  3.458
 RC180  Fr= 1--       0.521                  0.152                 -0.414
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.07    -0.06   0.12  -0.04     0.08  -0.04   0.11
     2   6     0.00   0.00   0.05    -0.27   0.21   0.01    -0.04  -0.04  -0.01
     3   6    -0.01  -0.01  -0.12     0.07   0.17  -0.03     0.09  -0.06   0.01
     4   6     0.02   0.02   0.19     0.13  -0.05   0.02     0.07   0.00  -0.10
     5   6     0.02   0.02   0.20    -0.12   0.02  -0.01    -0.03   0.07   0.05
     6   6    -0.01  -0.01  -0.10    -0.23   0.06   0.02    -0.07   0.07  -0.01
     7   6    -0.01  -0.01  -0.10     0.25  -0.10   0.00     0.04  -0.04  -0.04
     8   6     0.01   0.00   0.05     0.27  -0.16  -0.04     0.05  -0.08   0.07
     9   6     0.00   0.00   0.04     0.04  -0.07   0.03    -0.08  -0.05  -0.11
    10   6    -0.01  -0.01  -0.11    -0.07  -0.11  -0.00    -0.04  -0.00   0.06
    11   6    -0.00   0.00   0.00     0.02   0.01   0.05    -0.10   0.01  -0.08
    12   8    -0.00  -0.00  -0.01    -0.04  -0.06   0.02     0.04   0.10  -0.04
    13   6    -0.00   0.00  -0.00     0.05   0.02  -0.01    -0.06   0.04  -0.00
    14   1    -0.01  -0.01  -0.12    -0.25   0.22   0.05    -0.16  -0.15  -0.18
    15   1    -0.04  -0.05  -0.49    -0.06   0.22   0.00     0.14  -0.09  -0.08
    16   1    -0.05  -0.04  -0.46    -0.16   0.05   0.06    -0.14   0.08  -0.15
    17   1    -0.04  -0.04  -0.42     0.24  -0.10  -0.01    -0.03   0.00   0.09
    18   1    -0.00  -0.01  -0.05     0.33  -0.11  -0.10     0.11  -0.03   0.29
    19   1    -0.04  -0.04  -0.45     0.00  -0.14  -0.02     0.06  -0.03   0.15
    20   1     0.00   0.00   0.00     0.06   0.03   0.08    -0.10   0.02  -0.15
    21   6    -0.00  -0.00   0.00    -0.01  -0.03   0.05     0.02   0.03  -0.10
    22   6     0.00   0.00  -0.00    -0.01   0.01   0.01    -0.07  -0.06   0.04
    23   1    -0.00   0.00   0.00    -0.01   0.15  -0.01     0.01  -0.11   0.01
    24   1     0.00  -0.00   0.00     0.13   0.01  -0.02    -0.15   0.04   0.02
    25   1    -0.01   0.01   0.00     0.14   0.01  -0.01    -0.17   0.06   0.01
    26   1     0.01  -0.01   0.00    -0.05  -0.06   0.08     0.06   0.03  -0.11
    27   1     0.00   0.00  -0.00    -0.01  -0.03   0.04     0.09   0.06  -0.16
    28   1    -0.00   0.00   0.02    -0.02  -0.04   0.01     0.03  -0.05  -0.01
    29   8    -0.00  -0.00  -0.00    -0.01  -0.06  -0.04     0.04   0.10   0.09
    30   8    -0.00   0.00  -0.00    -0.02   0.01  -0.04     0.01  -0.07   0.05
    31   1    -0.02   0.00   0.01    -0.03   0.10  -0.06     0.56  -0.09  -0.17
                     22                     23                     24
                      A                      A                      A
 Frequencies --    577.8960               596.4236               617.4476
 Red. masses --      2.8086                 1.8152                 3.4111
 Frc consts  --      0.5526                 0.3804                 0.7662
 IR Inten    --     42.0122                60.6067                24.2823
 RamAct Fr= 1--      3.2081                 2.1678                 1.3094
  Dep-P Fr= 1--      0.3995                 0.7240                 0.5595
  Dep-U Fr= 1--      0.5709                 0.8399                 0.7175
 Alpha2 Fr= 1--      0.0238                 0.0010                 0.0047
 Beta2  Fr= 1--      0.3053                 0.3035                 0.1566
 AlphaG Fr= 1--      0.0812                -0.0067                -0.0378
 Gamma2 Fr= 1--      0.6314                -0.3854                 0.6389
 Delta2 Fr= 1--     -0.2455                -0.7075                 0.6330
 Raman1 Fr= 1--      12.832                  8.671                  5.238
 ROA1   Fr= 1--      52.760                -59.637                 81.589
 CID1   Fr= 1--       4.111                 -6.878                 15.577
 Raman2 Fr= 1--       3.663                  3.642                  1.879
 ROA2   Fr= 1--      17.118                 -3.589                 10.269
 CID2   Fr= 1--       4.673                 -0.986                  5.465
 Raman3 Fr= 1--       7.326                  7.283                  3.758
 ROA3   Fr= 1--      52.760                -59.637                 81.589
 CID3   Fr= 1--       7.201                 -8.188                 21.710
 RC180  Fr= 1--       0.142                  0.680                  0.435
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.08   0.13    -0.03  -0.01  -0.11    -0.05   0.02  -0.11
     2   6     0.01   0.05  -0.03     0.03  -0.00   0.03    -0.01   0.02   0.04
     3   6    -0.04   0.11  -0.01     0.00   0.02   0.01     0.07   0.10   0.00
     4   6    -0.02  -0.03  -0.08     0.01   0.02   0.07     0.10  -0.02   0.05
     5   6     0.08  -0.06   0.06     0.02  -0.01  -0.05     0.07  -0.02  -0.04
     6   6     0.07  -0.10   0.01     0.03  -0.02  -0.03     0.01  -0.08  -0.03
     7   6     0.01  -0.01  -0.03    -0.01  -0.00   0.01     0.01  -0.12  -0.00
     8   6     0.01   0.07   0.03    -0.01  -0.02  -0.00    -0.02  -0.01   0.02
     9   6     0.03   0.03  -0.14     0.01   0.00   0.10    -0.07   0.04   0.06
    10   6     0.07   0.04   0.02     0.02  -0.01  -0.00     0.04   0.11   0.00
    11   6     0.01  -0.03  -0.00    -0.03   0.09   0.00    -0.11  -0.10  -0.09
    12   8    -0.10  -0.13  -0.00    -0.03  -0.03   0.03    -0.06  -0.05   0.03
    13   6     0.04  -0.02  -0.01    -0.00   0.00   0.00    -0.02   0.02   0.00
    14   1     0.14   0.15  -0.30     0.08   0.04   0.25     0.10   0.11   0.26
    15   1    -0.10   0.12  -0.13     0.03   0.03   0.12     0.10   0.11   0.13
    16   1     0.10  -0.13  -0.16     0.04  -0.00   0.12     0.04  -0.07   0.10
    17   1     0.10  -0.02   0.15    -0.05  -0.01  -0.17    -0.01  -0.13  -0.18
    18   1     0.05   0.11   0.27    -0.03  -0.05  -0.19     0.07   0.06  -0.15
    19   1     0.02   0.08   0.14     0.03  -0.02  -0.11     0.05   0.09  -0.09
    20   1     0.02  -0.03   0.04    -0.01   0.10  -0.05    -0.18  -0.12  -0.12
    21   6    -0.02  -0.01   0.02     0.03   0.04  -0.08    -0.01  -0.01  -0.00
    22   6    -0.07  -0.01   0.03    -0.04  -0.02   0.06    -0.02  -0.03  -0.11
    23   1    -0.06   0.18  -0.02    -0.02   0.05   0.00    -0.06   0.10   0.00
    24   1     0.18  -0.05  -0.02     0.02   0.01  -0.01     0.03   0.02  -0.01
    25   1     0.16  -0.02  -0.01     0.04  -0.01  -0.00     0.05  -0.00  -0.01
    26   1    -0.07   0.00   0.03     0.04  -0.06  -0.03     0.13   0.14  -0.15
    27   1    -0.06  -0.03   0.08     0.10   0.08  -0.24     0.03   0.00   0.09
    28   1    -0.03   0.03  -0.04     0.04  -0.06  -0.05     0.01  -0.00   0.20
    29   8     0.00   0.01  -0.01     0.02  -0.03   0.03    -0.02   0.17   0.02
    30   8    -0.02  -0.00   0.02    -0.06  -0.03  -0.02     0.08  -0.06   0.08
    31   1     0.54   0.06  -0.24     0.66   0.21  -0.40    -0.16  -0.48   0.33
                     25                     26                     27
                      A                      A                      A
 Frequencies --    636.6200               684.9949               691.9348
 Red. masses --      2.5507                 3.3633                 4.8409
 Frc consts  --      0.6091                 0.9298                 1.3656
 IR Inten    --     14.2091                21.1621                 5.0547
 RamAct Fr= 1--      1.5112                 0.2399                 2.0271
  Dep-P Fr= 1--      0.7492                 0.7492                 0.0818
  Dep-U Fr= 1--      0.8566                 0.8566                 0.1512
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0371
 Beta2  Fr= 1--      0.2157                 0.0342                 0.0511
 AlphaG Fr= 1--     -0.0013                 0.0020                 0.0481
 Gamma2 Fr= 1--     -0.4034                -0.4999                 0.0063
 Delta2 Fr= 1--     -0.2825                 0.1689                -0.1378
 Raman1 Fr= 1--       6.045                  0.959                  8.108
 ROA1   Fr= 1--     -47.769                -42.583                 -3.805
 CID1   Fr= 1--      -7.903                -44.381                 -0.469
 Raman2 Fr= 1--       2.589                  0.411                  0.613
 ROA2   Fr= 1--      -7.422                -13.349                  1.253
 CID2   Fr= 1--      -2.867                -32.483                  2.044
 Raman3 Fr= 1--       5.178                  0.822                  1.226
 ROA3   Fr= 1--     -47.769                -42.583                 -3.805
 CID3   Fr= 1--      -9.226                -51.811                 -3.104
 RC180  Fr= 1--       0.713                  0.713                 -0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.07     0.03   0.03   0.22    -0.03  -0.01   0.09
     2   6    -0.02   0.02   0.03    -0.05  -0.02  -0.10     0.17   0.03  -0.06
     3   6    -0.07  -0.07   0.03     0.02   0.01  -0.07    -0.11  -0.08  -0.01
     4   6    -0.07  -0.01   0.04     0.02  -0.02  -0.05    -0.07   0.04  -0.01
     5   6    -0.06  -0.01  -0.00     0.00  -0.01  -0.10    -0.06   0.01  -0.04
     6   6    -0.04   0.04  -0.03    -0.03  -0.03   0.14     0.17   0.17   0.01
     7   6     0.03   0.09  -0.03    -0.02  -0.04   0.12     0.13   0.20   0.01
     8   6     0.04   0.06   0.02    -0.05  -0.01  -0.09     0.16  -0.01  -0.05
     9   6     0.08   0.00   0.00     0.02   0.03   0.23     0.01  -0.03   0.09
    10   6    -0.02  -0.05   0.02     0.01   0.03  -0.08    -0.09  -0.15   0.01
    11   6     0.11  -0.15  -0.05     0.03  -0.03  -0.01    -0.14   0.05  -0.01
    12   8     0.05   0.04   0.00     0.02   0.02  -0.03    -0.11  -0.11   0.01
    13   6     0.03  -0.02   0.00     0.00   0.00  -0.00    -0.02  -0.00   0.00
    14   1    -0.06  -0.01   0.19    -0.09  -0.05  -0.46     0.16   0.02  -0.18
    15   1    -0.11  -0.04   0.11    -0.00  -0.01  -0.34    -0.11  -0.09  -0.10
    16   1    -0.02   0.04   0.04    -0.04  -0.02   0.11     0.23   0.15   0.02
    17   1     0.09   0.06  -0.14    -0.03  -0.04   0.07     0.15   0.18  -0.04
    18   1    -0.02   0.01  -0.03    -0.07  -0.04  -0.44     0.09  -0.07  -0.20
    19   1    -0.09  -0.02   0.01    -0.01   0.02  -0.23    -0.08  -0.17  -0.08
    20   1     0.10  -0.16   0.05    -0.01  -0.05  -0.02    -0.16   0.05  -0.08
    21   6    -0.01  -0.04   0.05     0.01   0.01  -0.01    -0.02  -0.00   0.01
    22   6    -0.02   0.01  -0.10     0.07   0.01  -0.08    -0.08  -0.04  -0.03
    23   1     0.06  -0.08   0.01     0.02  -0.04  -0.01    -0.10   0.17  -0.01
    24   1    -0.02  -0.01   0.00    -0.01  -0.01   0.01     0.11  -0.03  -0.01
    25   1    -0.01  -0.02   0.00    -0.04   0.02   0.00     0.10  -0.02  -0.00
    26   1    -0.04   0.14  -0.04     0.06   0.07  -0.06     0.09  -0.05  -0.01
    27   1    -0.14  -0.10   0.34     0.01   0.00   0.05     0.11   0.06  -0.15
    28   1    -0.03   0.15  -0.02     0.02   0.04   0.04     0.01  -0.17   0.19
    29   8    -0.06   0.08  -0.03    -0.05   0.03  -0.00     0.01   0.09   0.00
    30   8    -0.02  -0.01   0.08    -0.04  -0.02   0.04     0.05  -0.08   0.00
    31   1     0.68  -0.17  -0.16     0.36  -0.07  -0.11    -0.18  -0.29   0.17
                     28                     29                     30
                      A                      A                      A
 Frequencies --    757.7788               778.6814               799.9287
 Red. masses --      5.5307                 2.5411                 3.3995
 Frc consts  --      1.8712                 0.9078                 1.2816
 IR Inten    --     23.8688                 2.3281                13.0185
 RamAct Fr= 1--     40.9366                 7.2702                34.0871
  Dep-P Fr= 1--      0.0681                 0.0910                 0.0926
  Dep-U Fr= 1--      0.1275                 0.1668                 0.1695
 Alpha2 Fr= 1--      0.7743                 0.1301                 0.6077
 Beta2  Fr= 1--      0.8701                 0.2022                 0.9632
 AlphaG Fr= 1--      0.1746                 0.0907                -0.3779
 Gamma2 Fr= 1--     -0.0611                 0.9138                -1.2009
 Delta2 Fr= 1--      0.0930                -0.2931                 0.2610
 Raman1 Fr= 1--     163.747                 29.081                136.348
 ROA1   Fr= 1--      -2.890                 78.342               -106.937
 CID1   Fr= 1--      -0.018                  2.694                 -0.784
 Raman2 Fr= 1--      10.442                  2.426                 11.558
 ROA2   Fr= 1--      -2.211                 24.275                -30.911
 CID2   Fr= 1--      -0.212                 10.007                 -2.674
 Raman3 Fr= 1--      20.883                  4.852                 23.117
 ROA3   Fr= 1--      -2.890                 78.342               -106.937
 CID3   Fr= 1--      -0.138                 16.147                 -4.626
 RC180  Fr= 1--      -0.745                 -0.666                 -0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.03     0.01   0.01   0.11     0.00  -0.00   0.01
     2   6     0.12   0.07   0.01    -0.01   0.00  -0.12     0.03  -0.04  -0.05
     3   6    -0.00  -0.11   0.02    -0.02  -0.03  -0.01     0.09   0.09   0.00
     4   6     0.03  -0.10  -0.01     0.01  -0.01   0.19     0.05   0.09   0.09
     5   6    -0.04   0.11   0.03    -0.02  -0.00  -0.19    -0.04  -0.06  -0.03
     6   6     0.11   0.32  -0.05     0.01   0.05   0.01     0.02  -0.11   0.00
     7   6    -0.01  -0.26   0.01    -0.01  -0.05  -0.03     0.00   0.11  -0.09
     8   6    -0.03  -0.06  -0.01     0.00   0.01   0.10     0.01  -0.02  -0.02
     9   6    -0.09   0.04  -0.01    -0.00  -0.00  -0.09    -0.06  -0.01  -0.04
    10   6    -0.05   0.11  -0.02     0.02   0.03   0.04    -0.11  -0.08   0.01
    11   6     0.06  -0.06  -0.02     0.02  -0.03  -0.01    -0.07   0.03  -0.01
    12   8    -0.12  -0.11   0.03    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    13   6    -0.07   0.04   0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    14   1    -0.00  -0.02  -0.01     0.00   0.02   0.26     0.13   0.04   0.19
    15   1    -0.02  -0.10   0.07    -0.09  -0.07  -0.49     0.17   0.01  -0.38
    16   1     0.13   0.31  -0.14     0.05   0.10   0.48     0.09  -0.12   0.19
    17   1     0.01  -0.25   0.16    -0.02  -0.09  -0.38    -0.07   0.19   0.25
    18   1     0.15   0.09   0.11     0.01   0.02  -0.07     0.01  -0.00   0.41
    19   1    -0.02   0.11   0.02     0.06   0.05   0.33    -0.13  -0.05   0.25
    20   1    -0.03  -0.11   0.02     0.04  -0.02   0.03    -0.16  -0.01  -0.09
    21   6     0.01  -0.02   0.00     0.01   0.00  -0.02    -0.03  -0.03   0.05
    22   6     0.22   0.05  -0.05    -0.07  -0.01   0.05     0.27   0.04  -0.11
    23   1    -0.15   0.22  -0.01    -0.01   0.02   0.02    -0.01   0.01   0.01
    24   1     0.05   0.02  -0.01     0.01  -0.00  -0.00    -0.01   0.01   0.00
    25   1     0.06   0.02  -0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    26   1     0.01   0.13  -0.08    -0.04   0.02  -0.01     0.08   0.02  -0.03
    27   1    -0.07  -0.06   0.21    -0.04  -0.02   0.04     0.05   0.00   0.03
    28   1    -0.00   0.13  -0.03    -0.00   0.06  -0.09    -0.01  -0.11   0.21
    29   8    -0.04  -0.07   0.04     0.03  -0.01  -0.01    -0.06  -0.03   0.05
    30   8    -0.07   0.07   0.03     0.02   0.03  -0.01    -0.07   0.01   0.03
    31   1     0.23   0.23  -0.15    -0.09   0.04   0.03     0.17   0.10  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --    814.9915               818.0111               842.1863
 Red. masses --      1.9202                 1.6897                 2.3354
 Frc consts  --      0.7514                 0.6662                 0.9760
 IR Inten    --      5.0373                16.9108                 0.6158
 RamAct Fr= 1--      2.0629                 0.1635                 1.4197
  Dep-P Fr= 1--      0.4232                 0.7243                 0.2332
  Dep-U Fr= 1--      0.5948                 0.8401                 0.3782
 Alpha2 Fr= 1--      0.0140                 0.0001                 0.0176
 Beta2  Fr= 1--      0.2045                 0.0229                 0.0895
 AlphaG Fr= 1--     -0.0713                -0.0020                -0.0003
 Gamma2 Fr= 1--      1.2690                 0.2336                 1.1801
 Delta2 Fr= 1--     -0.2413                 0.0498                 0.4732
 Raman1 Fr= 1--       8.252                  0.654                  5.679
 ROA1   Fr= 1--     114.101                 24.018                128.435
 CID1   Fr= 1--      13.828                 36.713                 22.617
 Raman2 Fr= 1--       2.454                  0.275                  1.074
 ROA2   Fr= 1--      32.387                  5.208                 24.538
 CID2   Fr= 1--      13.198                 18.952                 22.852
 Raman3 Fr= 1--       4.908                  0.550                  2.148
 ROA3   Fr= 1--     114.101                 24.018                128.435
 CID3   Fr= 1--      23.249                 43.700                 59.807
 RC180  Fr= 1--       0.190                  0.680                 -0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01     0.01   0.01   0.09     0.01  -0.01  -0.06
     2   6    -0.03   0.00  -0.03    -0.01  -0.01  -0.10     0.02   0.01   0.03
     3   6    -0.05  -0.03   0.04     0.01   0.01  -0.00     0.05   0.02   0.04
     4   6    -0.02  -0.02   0.05    -0.00  -0.00  -0.09     0.03   0.01   0.05
     5   6     0.03   0.03   0.01     0.01   0.01   0.12    -0.03  -0.02  -0.04
     6   6    -0.02   0.03  -0.02    -0.01  -0.02  -0.10     0.01  -0.00   0.03
     7   6    -0.02  -0.06  -0.07     0.01   0.01   0.03     0.00   0.02  -0.08
     8   6    -0.01  -0.02  -0.08    -0.00   0.00  -0.03    -0.01   0.01  -0.08
     9   6     0.04   0.01   0.05    -0.00   0.00   0.02    -0.00   0.01   0.12
    10   6     0.07   0.03  -0.03    -0.01  -0.00   0.03    -0.05  -0.02   0.01
    11   6     0.03   0.09   0.07    -0.01  -0.04  -0.03     0.01  -0.13  -0.04
    12   8     0.01   0.01   0.00    -0.00  -0.00  -0.02    -0.01  -0.01   0.02
    13   6     0.02  -0.01   0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    14   1    -0.03   0.01   0.23     0.07   0.07   0.64     0.00  -0.01  -0.17
    15   1    -0.14  -0.05  -0.30     0.02   0.01   0.03     0.05  -0.03  -0.36
    16   1    -0.04   0.07   0.15     0.06   0.04   0.52     0.04  -0.04  -0.13
    17   1     0.07  -0.02   0.53     0.01   0.02   0.08     0.06   0.09   0.54
    18   1     0.05   0.05   0.48    -0.00   0.00  -0.03     0.03   0.06   0.36
    19   1     0.11   0.02  -0.04    -0.08  -0.04  -0.45    -0.11  -0.01  -0.12
    20   1     0.08   0.12   0.01    -0.02  -0.05  -0.00    -0.02  -0.15   0.06
    21   6    -0.00   0.02   0.04     0.00  -0.00  -0.02     0.03   0.02  -0.11
    22   6    -0.03   0.00  -0.06    -0.01  -0.00   0.03    -0.12  -0.03   0.10
    23   1     0.02  -0.02   0.01    -0.00   0.01   0.03    -0.02   0.03  -0.01
    24   1     0.01  -0.01  -0.00     0.00   0.01  -0.01    -0.01   0.01   0.00
    25   1     0.01  -0.01  -0.00    -0.01  -0.00  -0.01    -0.00   0.01   0.00
    26   1    -0.05  -0.18   0.18     0.02   0.07  -0.07     0.05   0.23  -0.24
    27   1     0.03   0.04  -0.17    -0.01  -0.01   0.06    -0.05  -0.03   0.18
    28   1     0.00  -0.08  -0.04    -0.00   0.04   0.01     0.02   0.18  -0.08
    29   8    -0.03   0.06  -0.03     0.01  -0.02   0.01     0.05  -0.03   0.00
    30   8     0.01  -0.10  -0.01     0.00   0.04   0.00     0.02   0.08  -0.00
    31   1     0.05  -0.23   0.02    -0.03   0.08   0.00    -0.09   0.12   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    851.6811               896.3611               917.0133
 Red. masses --      3.1362                 1.7087                 1.5513
 Frc consts  --      1.3403                 0.8089                 0.7686
 IR Inten    --      3.4490                33.1949                11.2392
 RamAct Fr= 1--     17.6703                 1.9657                 2.1964
  Dep-P Fr= 1--      0.0674                 0.7161                 0.5055
  Dep-U Fr= 1--      0.1262                 0.8346                 0.6716
 Alpha2 Fr= 1--      0.3348                 0.0011                 0.0106
 Beta2  Fr= 1--      0.3717                 0.2734                 0.2458
 AlphaG Fr= 1--      0.4176                 0.0080                 0.1196
 Gamma2 Fr= 1--     -2.1480                -0.2048                 0.0958
 Delta2 Fr= 1--     -0.4440                -0.1077                 0.1788
 Raman1 Fr= 1--      70.681                  7.863                  8.786
 ROA1   Fr= 1--    -220.419                -23.106                 14.923
 CID1   Fr= 1--      -3.119                 -2.939                  1.699
 Raman2 Fr= 1--       4.461                  3.281                  2.950
 ROA2   Fr= 1--     -48.000                 -4.053                  0.869
 CID2   Fr= 1--     -10.760                 -1.235                  0.295
 Raman3 Fr= 1--       8.922                  6.562                  5.900
 ROA3   Fr= 1--    -220.419                -23.106                 14.923
 CID3   Fr= 1--     -24.706                 -3.521                  2.529
 RC180  Fr= 1--      -0.748                  0.669                  0.343
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.01     0.01   0.01   0.09    -0.00   0.00   0.01
     2   6     0.04   0.01  -0.01    -0.00  -0.00  -0.02     0.00  -0.01  -0.06
     3   6     0.17   0.06  -0.04    -0.02  -0.02  -0.18    -0.01   0.00   0.01
     4   6     0.08   0.03  -0.02     0.01   0.01   0.11    -0.01   0.00  -0.03
     5   6    -0.08  -0.04   0.03    -0.00  -0.00  -0.03     0.01   0.01   0.08
     6   6     0.03   0.01  -0.01     0.00  -0.00   0.02     0.00  -0.01   0.01
     7   6    -0.06  -0.02   0.03    -0.00  -0.00  -0.05     0.01   0.01   0.01
     8   6    -0.08   0.03   0.01    -0.00  -0.01  -0.05     0.01  -0.01   0.00
     9   6    -0.01   0.03  -0.02    -0.00   0.00   0.02    -0.01   0.01   0.07
    10   6    -0.16  -0.07   0.02     0.00   0.00   0.00    -0.02  -0.00  -0.16
    11   6     0.17   0.05   0.09    -0.00  -0.01   0.00    -0.00  -0.02   0.02
    12   8    -0.04  -0.06   0.01    -0.00  -0.00  -0.02     0.00   0.00  -0.01
    13   6    -0.07   0.06   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.04   0.00   0.04     0.01   0.00   0.03     0.06   0.04   0.41
    15   1     0.35   0.01   0.06     0.08   0.09   0.87    -0.01   0.01   0.02
    16   1     0.15  -0.03   0.01    -0.00  -0.00  -0.01    -0.02  -0.03  -0.22
    17   1    -0.16   0.01  -0.09     0.02   0.02   0.12    -0.01   0.01  -0.02
    18   1    -0.11   0.00  -0.05     0.04   0.04   0.36     0.01  -0.02  -0.06
    19   1    -0.34  -0.01   0.04     0.01   0.00   0.03     0.10   0.08   0.83
    20   1     0.18   0.06   0.20    -0.01  -0.02   0.01    -0.03  -0.04   0.06
    21   6     0.07   0.02   0.02     0.00   0.00  -0.02     0.02   0.01  -0.04
    22   6    -0.09   0.01  -0.03    -0.01  -0.00   0.01    -0.02  -0.01   0.01
    23   1    -0.09   0.10   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    24   1    -0.03   0.04  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.03   0.04  -0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    26   1    -0.21  -0.17   0.24     0.01   0.03  -0.03     0.01   0.07  -0.07
    27   1    -0.14  -0.07   0.00     0.00   0.00   0.01    -0.02  -0.00   0.04
    28   1     0.01   0.17  -0.39     0.00   0.02   0.00     0.01   0.05  -0.04
    29   8    -0.02   0.05  -0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   8     0.03  -0.10  -0.02     0.00   0.01  -0.00     0.00   0.01  -0.00
    31   1     0.03  -0.24   0.03    -0.00   0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    936.9969               949.5309               961.9769
 Red. masses --      3.7074                 1.3762                 1.3341
 Frc consts  --      1.9178                 0.7310                 0.7274
 IR Inten    --     11.9293                 2.6233                 0.8659
 RamAct Fr= 1--      6.0277                 0.8300                 1.2140
  Dep-P Fr= 1--      0.3983                 0.4643                 0.6454
  Dep-U Fr= 1--      0.5697                 0.6342                 0.7845
 Alpha2 Fr= 1--      0.0449                 0.0048                 0.0023
 Beta2  Fr= 1--      0.5723                 0.0877                 0.1587
 AlphaG Fr= 1--      0.1282                -0.0022                 0.0642
 Gamma2 Fr= 1--      3.5231                -0.6442                 0.3379
 Delta2 Fr= 1--     -1.6361                 0.4855                 0.1292
 Raman1 Fr= 1--      24.111                  3.320                  4.856
 ROA1   Fr= 1--     285.858                -46.307                 36.574
 CID1   Fr= 1--      11.856                -13.948                  7.531
 Raman2 Fr= 1--       6.867                  1.053                  1.905
 ROA2   Fr= 1--      97.643                -19.345                  7.076
 CID2   Fr= 1--      14.218                -18.376                  3.715
 Raman3 Fr= 1--      13.735                  2.105                  3.809
 ROA3   Fr= 1--     285.858                -46.307                 36.574
 CID3   Fr= 1--      20.812                -21.994                  9.601
 RC180  Fr= 1--       0.139                  0.268                  0.569
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.03  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.01
     2   6    -0.12   0.19  -0.03     0.00   0.03   0.09    -0.01   0.01  -0.01
     3   6     0.11  -0.12  -0.00     0.01  -0.01  -0.01     0.00  -0.01   0.03
     4   6     0.05  -0.07   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.02
     5   6     0.03  -0.06   0.01     0.01  -0.00   0.05     0.00  -0.00  -0.01
     6   6    -0.03   0.04   0.02    -0.01  -0.01  -0.12     0.00  -0.00   0.02
     7   6    -0.04   0.02  -0.01     0.00   0.01   0.01     0.01   0.02   0.11
     8   6    -0.13   0.20  -0.00    -0.01   0.01  -0.02    -0.01  -0.01  -0.12
     9   6     0.12  -0.03   0.01     0.01  -0.00   0.03     0.00  -0.00   0.01
    10   6     0.09  -0.13  -0.02     0.00  -0.01  -0.07     0.01   0.00   0.01
    11   6    -0.06   0.01  -0.06    -0.01  -0.01   0.01    -0.00  -0.01   0.01
    12   8    -0.01  -0.07   0.01    -0.00  -0.01   0.00     0.00  -0.00   0.00
    13   6    -0.08   0.08   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    14   1    -0.18   0.15   0.15    -0.06  -0.04  -0.54    -0.00   0.02   0.05
    15   1     0.20  -0.16   0.02     0.01  -0.01   0.03    -0.00  -0.02  -0.10
    16   1     0.15  -0.04  -0.17     0.09   0.06   0.73     0.00  -0.02  -0.10
    17   1     0.18  -0.05   0.07     0.00  -0.00  -0.06    -0.07  -0.07  -0.67
    18   1    -0.23   0.13  -0.05    -0.00   0.02   0.10     0.07   0.08   0.68
    19   1     0.14  -0.14   0.14     0.05   0.02   0.32     0.01  -0.01  -0.05
    20   1     0.03   0.06  -0.24    -0.01  -0.01   0.01    -0.01  -0.01   0.00
    21   6    -0.08  -0.01   0.03     0.00   0.01  -0.01    -0.00   0.00  -0.01
    22   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23   1    -0.10   0.12   0.00    -0.01   0.01  -0.01    -0.00   0.01   0.00
    24   1    -0.04   0.06   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.04   0.06  -0.01    -0.01   0.01   0.00    -0.00   0.00  -0.00
    26   1     0.14  -0.05  -0.04     0.01   0.02  -0.03     0.01   0.02  -0.02
    27   1     0.17   0.10  -0.17     0.01   0.01  -0.00     0.01   0.01   0.00
    28   1    -0.02  -0.29   0.35     0.00  -0.00   0.01     0.00   0.00   0.01
    29   8     0.01  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   8    -0.00   0.02   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.01   0.05   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    980.5783              1013.3083              1064.4489
 Red. masses --      3.5449                 2.0895                 1.9344
 Frc consts  --      2.0083                 1.2641                 1.2913
 IR Inten    --      0.9238                41.9814                55.0189
 RamAct Fr= 1--     15.6020                 6.4152                 6.1513
  Dep-P Fr= 1--      0.1294                 0.4215                 0.5187
  Dep-U Fr= 1--      0.2292                 0.5931                 0.6831
 Alpha2 Fr= 1--      0.2540                 0.0439                 0.0278
 Beta2  Fr= 1--      0.5960                 0.6341                 0.7003
 AlphaG Fr= 1--     -0.2599                 0.1854                 0.1068
 Gamma2 Fr= 1--     -1.0643                 1.0210                 0.2245
 Delta2 Fr= 1--     -0.5674                 1.2781                -0.9115
 Raman1 Fr= 1--      62.408                 25.661                 24.605
 ROA1   Fr= 1--    -120.324                138.913                 -7.618
 CID1   Fr= 1--      -1.928                  5.413                 -0.310
 Raman2 Fr= 1--       7.152                  7.609                  8.404
 ROA2   Fr= 1--     -21.003                 14.279                 12.680
 CID2   Fr= 1--      -2.937                  1.877                  1.509
 Raman3 Fr= 1--      14.304                 15.218                 16.807
 ROA3   Fr= 1--    -120.324                138.913                 -7.618
 CID3   Fr= 1--      -8.412                  9.128                 -0.453
 RC180  Fr= 1--      -0.542                  0.186                  0.366
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
     2   6    -0.06   0.23  -0.02    -0.02  -0.00   0.00     0.01  -0.01  -0.00
     3   6    -0.01  -0.22   0.02     0.00   0.00   0.00     0.00   0.01  -0.00
     4   6     0.00   0.03  -0.00     0.00  -0.02   0.00    -0.01   0.01   0.00
     5   6     0.01  -0.03  -0.00     0.03   0.00  -0.01    -0.03  -0.01   0.00
     6   6     0.00  -0.12   0.02    -0.01   0.02   0.00     0.00   0.00  -0.00
     7   6     0.00   0.13  -0.02     0.01  -0.01  -0.00    -0.03  -0.01   0.01
     8   6     0.05  -0.17   0.03    -0.03   0.08   0.01     0.02  -0.07   0.00
     9   6    -0.09  -0.00  -0.01    -0.01  -0.02  -0.04     0.07   0.04  -0.01
    10   6     0.03   0.18  -0.00     0.04  -0.07   0.02    -0.02   0.06  -0.01
    11   6    -0.00  -0.00   0.06    -0.09   0.02   0.15     0.07   0.08  -0.08
    12   8    -0.00  -0.04   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    13   6    -0.05   0.03   0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    14   1     0.07   0.34  -0.03    -0.04  -0.02   0.01    -0.01  -0.03   0.00
    15   1     0.06  -0.25   0.02    -0.02   0.01  -0.00    -0.01   0.01   0.00
    16   1     0.34  -0.26  -0.03    -0.06   0.04  -0.01     0.02  -0.01   0.01
    17   1    -0.28   0.25   0.05     0.16  -0.06  -0.01    -0.21   0.05   0.01
    18   1    -0.06  -0.26  -0.04    -0.01   0.09  -0.07    -0.01  -0.10   0.03
    19   1     0.03   0.17  -0.12     0.15  -0.13  -0.10    -0.24   0.16   0.06
    20   1    -0.04  -0.02   0.19    -0.14  -0.03   0.61     0.28   0.16   0.09
    21   6     0.05   0.02  -0.03     0.03  -0.00  -0.13    -0.11  -0.10  -0.00
    22   6     0.02   0.02  -0.02     0.05   0.09  -0.00    -0.04   0.07   0.06
    23   1    -0.07   0.08  -0.00     0.01  -0.01   0.00    -0.01   0.01   0.00
    24   1    -0.00   0.03  -0.00    -0.00  -0.00   0.00    -0.01   0.01   0.00
    25   1    -0.00   0.03  -0.00    -0.00  -0.00   0.00    -0.01   0.01  -0.00
    26   1    -0.07   0.04   0.00     0.05   0.37  -0.35     0.22   0.27  -0.34
    27   1    -0.08  -0.04   0.06    -0.04  -0.04   0.28     0.13  -0.01   0.27
    28   1     0.02   0.17  -0.20     0.02   0.25  -0.02    -0.05  -0.15   0.51
    29   8    -0.01   0.00  -0.01    -0.03   0.01  -0.02     0.01   0.01  -0.01
    30   8    -0.00  -0.02  -0.00     0.01  -0.11  -0.01     0.02  -0.09  -0.00
    31   1     0.00  -0.02  -0.00    -0.05   0.06  -0.04    -0.06   0.19  -0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1071.1747              1106.1044              1159.9581
 Red. masses --      3.5758                 2.1296                 1.8478
 Frc consts  --      2.4174                 1.5351                 1.4648
 IR Inten    --     50.5665                10.3560                33.7692
 RamAct Fr= 1--      3.8796                 5.1422                 5.7510
  Dep-P Fr= 1--      0.1408                 0.2775                 0.2732
  Dep-U Fr= 1--      0.2468                 0.4345                 0.4292
 Alpha2 Fr= 1--      0.0614                 0.0563                 0.0638
 Beta2  Fr= 1--      0.1596                 0.3724                 0.4114
 AlphaG Fr= 1--      0.0367                -0.1942                -0.0095
 Gamma2 Fr= 1--      0.3649                -0.4857                -1.0961
 Delta2 Fr= 1--     -0.2640                 2.2681                -0.5983
 Raman1 Fr= 1--      15.519                 20.569                 23.004
 ROA1   Fr= 1--      26.582                 25.951               -124.373
 CID1   Fr= 1--       1.713                  1.262                 -5.407
 Raman2 Fr= 1--       1.915                  4.469                  4.937
 ROA2   Fr= 1--      10.869                -29.803                -21.521
 CID2   Fr= 1--       5.675                 -6.669                 -4.359
 Raman3 Fr= 1--       3.830                  8.937                  9.873
 ROA3   Fr= 1--      26.582                 25.951               -124.373
 CID3   Fr= 1--       6.940                  2.904                -12.597
 RC180  Fr= 1--      -0.506                 -0.131                 -0.142
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.16  -0.06   0.02     0.00   0.00  -0.00    -0.00   0.01  -0.00
     2   6    -0.03   0.10  -0.01    -0.02   0.01   0.00     0.05   0.02  -0.01
     3   6     0.04  -0.08   0.00    -0.00  -0.01   0.00    -0.02  -0.05   0.01
     4   6     0.06   0.04  -0.01    -0.02   0.02   0.00     0.03   0.01  -0.00
     5   6     0.01  -0.01   0.00     0.02   0.01  -0.00     0.01   0.09  -0.01
     6   6     0.03   0.02  -0.01     0.01  -0.00  -0.00    -0.04  -0.08   0.01
     7   6    -0.01  -0.05   0.01    -0.02  -0.02   0.00     0.01  -0.00  -0.00
     8   6    -0.02   0.03  -0.00    -0.00  -0.01  -0.01    -0.01   0.07  -0.01
     9   6     0.01   0.01   0.00     0.03   0.04   0.03    -0.13  -0.07   0.03
    10   6    -0.03  -0.04   0.00     0.04  -0.06  -0.01    -0.05  -0.03   0.00
    11   6     0.02   0.02  -0.02    -0.06   0.17  -0.16     0.06  -0.00  -0.06
    12   8    -0.15   0.21  -0.00     0.02  -0.01  -0.00     0.02  -0.01  -0.00
    13   6     0.18  -0.21   0.00    -0.01   0.02  -0.00    -0.03   0.00   0.00
    14   1     0.12   0.23  -0.04    -0.04  -0.00   0.00     0.47   0.35  -0.08
    15   1     0.64  -0.33  -0.03     0.02  -0.02   0.00    -0.07  -0.04   0.01
    16   1     0.24  -0.05  -0.02    -0.00   0.00   0.00    -0.32   0.02   0.03
    17   1    -0.06  -0.03   0.01    -0.04  -0.02   0.01     0.12  -0.04  -0.00
    18   1     0.05   0.08  -0.01    -0.00  -0.01   0.04     0.23   0.28  -0.05
    19   1    -0.09  -0.01   0.03     0.12  -0.09   0.03     0.32  -0.17  -0.00
    20   1     0.02   0.02  -0.01    -0.39   0.02  -0.06     0.30   0.11  -0.08
    21   6    -0.01  -0.02   0.01     0.09  -0.12   0.07     0.00  -0.02   0.03
    22   6    -0.01   0.01   0.01    -0.02  -0.03   0.01    -0.00   0.05   0.03
    23   1     0.16  -0.17   0.00    -0.00   0.00   0.00    -0.05   0.04  -0.00
    24   1     0.09  -0.14  -0.01    -0.01   0.01   0.00     0.04   0.00  -0.01
    25   1     0.10  -0.14   0.02    -0.01   0.01  -0.00     0.05  -0.00   0.00
    26   1     0.02   0.02  -0.03    -0.26   0.07   0.11    -0.00  -0.02   0.03
    27   1     0.00  -0.01   0.05    -0.31  -0.30   0.48    -0.00  -0.02   0.01
    28   1    -0.01  -0.02   0.06     0.01   0.34  -0.27    -0.00  -0.00  -0.02
    29   8     0.00   0.00  -0.00     0.02   0.00   0.02    -0.01   0.01  -0.01
    30   8     0.00  -0.01   0.00     0.00   0.00   0.00     0.02  -0.05   0.01
    31   1    -0.01   0.03  -0.01    -0.03   0.10  -0.02    -0.06   0.23  -0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.6567              1173.6540              1187.6683
 Red. masses --      1.2713                 1.7436                 1.7069
 Frc consts  --      1.0300                 1.4150                 1.4186
 IR Inten    --      0.7728                50.0334                60.2547
 RamAct Fr= 1--      1.1029                17.8933                 2.5726
  Dep-P Fr= 1--      0.7372                 0.1717                 0.2165
  Dep-U Fr= 1--      0.8487                 0.2930                 0.3559
 Alpha2 Fr= 1--      0.0002                 0.2617                 0.0334
 Beta2  Fr= 1--      0.1560                 0.8739                 0.1526
 AlphaG Fr= 1--      0.0136                -0.1760                 0.0062
 Gamma2 Fr= 1--      0.0455                -0.6185                -0.4740
 Delta2 Fr= 1--      0.0037                 0.1130                -0.0002
 Raman1 Fr= 1--       4.411                 71.573                 10.290
 ROA1   Fr= 1--       4.488                -55.758                -45.512
 CID1   Fr= 1--       1.017                 -0.779                 -4.423
 Raman2 Fr= 1--       1.872                 10.487                  1.831
 ROA2   Fr= 1--       1.062                -15.747                -11.376
 CID2   Fr= 1--       0.567                 -1.502                 -6.212
 Raman3 Fr= 1--       3.744                 20.974                  3.663
 ROA3   Fr= 1--       4.488                -55.758                -45.512
 CID3   Fr= 1--       1.199                 -2.658                -12.426
 RC180  Fr= 1--       0.697                 -0.414                 -0.288
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.04   0.03  -0.01    -0.09  -0.00   0.01
     2   6    -0.00  -0.00   0.00    -0.01  -0.04   0.00    -0.03  -0.01   0.00
     3   6     0.00   0.00  -0.00     0.04   0.02  -0.01    -0.00   0.03  -0.00
     4   6     0.00  -0.00  -0.00     0.02  -0.07   0.01    -0.12   0.06   0.01
     5   6    -0.00   0.00   0.00    -0.03  -0.01   0.00    -0.07   0.03   0.00
     6   6     0.00   0.00  -0.00     0.02   0.01  -0.00     0.06  -0.01  -0.00
     7   6     0.00   0.00  -0.00     0.07   0.08  -0.01     0.04  -0.04   0.00
     8   6    -0.00   0.00   0.00    -0.07  -0.01   0.00    -0.01  -0.02   0.00
     9   6    -0.00  -0.00   0.00    -0.07  -0.04   0.02    -0.04   0.01   0.00
    10   6     0.00   0.00  -0.00     0.01   0.06  -0.01     0.03   0.01  -0.00
    11   6     0.00  -0.00  -0.00     0.01  -0.01  -0.06     0.03  -0.01  -0.00
    12   8     0.00   0.01   0.06    -0.06   0.04   0.00     0.07  -0.06  -0.00
    13   6    -0.01  -0.01  -0.14     0.01  -0.06   0.01     0.01   0.09  -0.01
    14   1    -0.00  -0.00   0.01    -0.24  -0.22   0.05    -0.04  -0.02   0.01
    15   1    -0.00   0.00   0.01    -0.13   0.10   0.00     0.51  -0.18  -0.03
    16   1     0.00  -0.00  -0.00     0.20  -0.05  -0.01     0.39  -0.14  -0.03
    17   1     0.01  -0.00  -0.00     0.48  -0.07  -0.04     0.42  -0.18  -0.02
    18   1    -0.01  -0.01   0.00    -0.45  -0.31   0.09     0.03   0.01  -0.01
    19   1     0.01  -0.00  -0.00     0.18   0.00  -0.00     0.24  -0.07  -0.02
    20   1     0.00   0.00  -0.00     0.13   0.05  -0.07     0.08   0.02  -0.01
    21   6     0.00  -0.00   0.00     0.02  -0.01   0.03    -0.01  -0.00   0.00
    22   6     0.00   0.00   0.00     0.00   0.05   0.02    -0.00   0.01   0.00
    23   1     0.03   0.03   0.28    -0.09   0.15  -0.01     0.19  -0.28   0.01
    24   1     0.41  -0.50   0.19     0.08  -0.02  -0.03    -0.17   0.05   0.06
    25   1    -0.37   0.53   0.17     0.10  -0.04   0.01    -0.17   0.04  -0.03
    26   1    -0.00  -0.00   0.00    -0.04  -0.04   0.07     0.03   0.01  -0.02
    27   1    -0.00  -0.00  -0.00    -0.04  -0.03  -0.02     0.03   0.02  -0.01
    28   1     0.00   0.00  -0.00     0.00   0.02  -0.09    -0.01  -0.02   0.03
    29   8    -0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   8     0.00  -0.00   0.00     0.02  -0.05   0.02     0.00  -0.01   0.00
    31   1    -0.00   0.01  -0.00    -0.07   0.29  -0.06    -0.01   0.03  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.3493              1199.0356              1206.7726
 Red. masses --      1.4858                 1.4665                 1.7066
 Frc consts  --      1.2383                 1.2422                 1.4643
 IR Inten    --     69.0476                74.3854                 8.7596
 RamAct Fr= 1--     10.1993                43.5687                 2.8832
  Dep-P Fr= 1--      0.6060                 0.2077                 0.4980
  Dep-U Fr= 1--      0.7547                 0.3440                 0.6649
 Alpha2 Fr= 1--      0.0271                 0.5796                 0.0144
 Beta2  Fr= 1--      1.2829                 2.4981                 0.3195
 AlphaG Fr= 1--     -0.0345                 0.5884                 0.0333
 Gamma2 Fr= 1--     -0.4683                -0.4281                 1.3919
 Delta2 Fr= 1--      1.3478                -3.1691                 0.7628
 Raman1 Fr= 1--      40.797                174.275                 11.533
 ROA1   Fr= 1--      -1.825               -142.505                158.037
 CID1   Fr= 1--      -0.045                 -0.818                 13.703
 Raman2 Fr= 1--      15.395                 29.978                  3.834
 ROA2   Fr= 1--     -22.021                 15.079                 27.304
 CID2   Fr= 1--      -1.430                  0.503                  7.122
 Raman3 Fr= 1--      30.790                 59.955                  7.668
 ROA3   Fr= 1--      -1.825               -142.505                158.037
 CID3   Fr= 1--      -0.059                 -2.377                 20.610
 RC180  Fr= 1--       0.509                 -0.312                  0.330
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03   0.00     0.04   0.01  -0.01     0.03   0.06  -0.01
     2   6    -0.03   0.01   0.00    -0.03  -0.02   0.00    -0.01  -0.03   0.00
     3   6    -0.03   0.02   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
     4   6     0.02   0.01  -0.00     0.01   0.01  -0.00    -0.09   0.06   0.00
     5   6     0.03  -0.04   0.00    -0.02   0.01   0.00    -0.06   0.03   0.00
     6   6     0.02   0.02  -0.00     0.03  -0.02  -0.00     0.01  -0.03   0.00
     7   6    -0.03   0.00   0.00    -0.00   0.01  -0.00    -0.01  -0.05   0.01
     8   6     0.04   0.02  -0.01     0.00   0.03  -0.00     0.02  -0.02   0.00
     9   6    -0.02  -0.01   0.02    -0.09  -0.02   0.00     0.05   0.06  -0.01
    10   6     0.00  -0.01  -0.00     0.01  -0.01   0.00     0.03  -0.03  -0.00
    11   6    -0.03  -0.07  -0.04     0.07   0.06   0.02    -0.02  -0.05   0.00
    12   8    -0.02  -0.02   0.00    -0.03   0.02   0.00     0.05   0.04  -0.01
    13   6     0.04   0.03  -0.01    -0.00  -0.03   0.00    -0.10  -0.07   0.02
    14   1    -0.30  -0.20   0.05    -0.30  -0.24   0.05    -0.08  -0.10   0.02
    15   1    -0.15   0.07   0.01    -0.19   0.08   0.01     0.27  -0.12  -0.02
    16   1     0.28  -0.07  -0.02     0.39  -0.16  -0.02     0.09  -0.07  -0.00
    17   1    -0.37   0.13   0.03    -0.15   0.07   0.01    -0.09  -0.03   0.01
    18   1     0.34   0.27  -0.06     0.27   0.26  -0.07     0.20   0.12  -0.03
    19   1    -0.01  -0.01   0.02     0.35  -0.15  -0.05     0.06  -0.04   0.00
    20   1     0.04  -0.04  -0.09     0.17   0.11   0.04    -0.12  -0.10  -0.03
    21   6     0.03   0.03   0.03    -0.03  -0.04  -0.01     0.00   0.03   0.00
    22   6     0.01   0.08   0.03    -0.02  -0.06  -0.02     0.00   0.03   0.01
    23   1     0.13  -0.17   0.00    -0.08   0.12  -0.00    -0.37   0.50  -0.01
    24   1    -0.14   0.03   0.04     0.06  -0.02  -0.02     0.35  -0.06  -0.10
    25   1    -0.15   0.02  -0.02     0.06  -0.01   0.01     0.37  -0.04   0.04
    26   1    -0.05  -0.10   0.13     0.06   0.10  -0.12    -0.00  -0.06   0.05
    27   1    -0.05   0.00  -0.13     0.06  -0.01   0.12    -0.00   0.03  -0.10
    28   1     0.01  -0.02  -0.15    -0.02   0.03   0.13     0.00  -0.04  -0.04
    29   8    -0.02   0.02  -0.03     0.02  -0.02   0.02    -0.01   0.01  -0.02
    30   8     0.03  -0.07   0.03    -0.02   0.05  -0.03     0.01  -0.03   0.02
    31   1    -0.11   0.42  -0.08     0.09  -0.34   0.07    -0.05   0.19  -0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1260.8625              1296.9268              1304.8106
 Red. masses --      1.8117                 1.7765                 2.7008
 Frc consts  --      1.6969                 1.7605                 2.7092
 IR Inten    --     74.2116                21.5172               247.5652
 RamAct Fr= 1--     36.2332                 3.0440                28.7492
  Dep-P Fr= 1--      0.2802                 0.1727                 0.2150
  Dep-U Fr= 1--      0.4377                 0.2946                 0.3539
 Alpha2 Fr= 1--      0.3940                 0.0444                 0.3751
 Beta2  Fr= 1--      2.6434                 0.1494                 1.6958
 AlphaG Fr= 1--      0.1279                 0.0108                -0.0747
 Gamma2 Fr= 1--      3.2736                -0.3301                -0.2019
 Delta2 Fr= 1--     -0.1284                 0.1120                -1.0883
 Raman1 Fr= 1--     144.933                 12.176                114.997
 ROA1   Fr= 1--     310.159                -28.104                -54.203
 CID1   Fr= 1--       2.140                 -2.308                 -0.471
 Raman2 Fr= 1--      31.721                  1.793                 20.350
 ROA2   Fr= 1--      79.594                 -8.818                  3.862
 CID2   Fr= 1--       2.509                 -4.917                  0.190
 Raman3 Fr= 1--      63.442                  3.587                 40.699
 ROA3   Fr= 1--     310.159                -28.104                -54.203
 CID3   Fr= 1--       4.889                 -7.836                 -1.332
 RC180  Fr= 1--      -0.125                 -0.411                 -0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02   0.01     0.03   0.05  -0.01     0.22   0.12  -0.03
     2   6    -0.02   0.03  -0.00     0.05  -0.00  -0.00     0.03   0.03  -0.01
     3   6    -0.04   0.04   0.00     0.05   0.04  -0.01     0.02  -0.04   0.00
     4   6    -0.03  -0.02   0.01    -0.07  -0.14   0.02    -0.11   0.11   0.00
     5   6     0.14  -0.10  -0.00    -0.08  -0.12   0.02     0.01   0.04  -0.01
     6   6     0.01   0.05  -0.01    -0.01   0.04  -0.00     0.00  -0.10   0.01
     7   6    -0.02   0.05  -0.00    -0.01   0.06  -0.01    -0.01  -0.03   0.00
     8   6     0.01   0.01  -0.00     0.03  -0.00  -0.00    -0.01  -0.04   0.01
     9   6    -0.08  -0.10   0.03    -0.02   0.02  -0.00     0.00  -0.00   0.00
    10   6    -0.01   0.04  -0.00     0.05   0.05  -0.01     0.02  -0.03  -0.00
    11   6    -0.03   0.02  -0.02     0.01   0.00   0.01    -0.02  -0.01  -0.01
    12   8     0.07   0.00  -0.01    -0.04  -0.01   0.00    -0.16  -0.02   0.02
    13   6    -0.05  -0.00   0.01     0.02  -0.00  -0.00     0.10  -0.02  -0.01
    14   1    -0.25  -0.15   0.04     0.03  -0.02  -0.00    -0.24  -0.20   0.04
    15   1     0.37  -0.13  -0.02     0.46  -0.12  -0.03     0.12  -0.07  -0.01
    16   1    -0.20   0.14   0.01    -0.44   0.20   0.02    -0.39   0.04   0.04
    17   1     0.21  -0.03  -0.02    -0.36   0.19   0.02     0.38  -0.18  -0.02
    18   1     0.18   0.15  -0.03     0.08   0.04  -0.01     0.27   0.18  -0.05
    19   1    -0.44   0.19   0.04     0.51  -0.12  -0.05    -0.33   0.10   0.03
    20   1     0.38   0.20   0.02    -0.01  -0.01  -0.02     0.09   0.04  -0.00
    21   6     0.03  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.00   0.00
    22   6     0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00   0.01   0.00
    23   1    -0.12   0.15  -0.00     0.04  -0.04  -0.00     0.09  -0.04  -0.01
    24   1     0.13  -0.02  -0.03    -0.06   0.01   0.01    -0.27   0.04   0.04
    25   1     0.14  -0.01   0.01    -0.06   0.01  -0.00    -0.28   0.04   0.00
    26   1    -0.05   0.03   0.01     0.01   0.02  -0.02    -0.01  -0.01   0.01
    27   1    -0.05  -0.05   0.07     0.02   0.01  -0.01    -0.03  -0.01   0.01
    28   1     0.01   0.05  -0.06    -0.01   0.03   0.00     0.01  -0.01  -0.02
    29   8     0.01  -0.01   0.02    -0.00   0.00  -0.00     0.00  -0.01   0.01
    30   8    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
    31   1     0.02  -0.10   0.02    -0.01   0.05  -0.01     0.02  -0.08   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1323.9740              1347.0919              1349.2066
 Red. masses --      1.8706                 1.4375                 2.1221
 Frc consts  --      1.9320                 1.5369                 2.2760
 IR Inten    --      2.3585                 3.7775                27.7952
 RamAct Fr= 1--      9.8023                 8.2705                 1.1912
  Dep-P Fr= 1--      0.3487                 0.7119                 0.6109
  Dep-U Fr= 1--      0.5171                 0.8317                 0.7585
 Alpha2 Fr= 1--      0.0864                 0.0055                 0.0030
 Beta2  Fr= 1--      0.8448                 1.1464                 0.1506
 AlphaG Fr= 1--      0.3123                 0.0484                 0.0295
 Gamma2 Fr= 1--      4.6263                -3.0168                 0.2053
 Delta2 Fr= 1--     -2.3262                 1.2739                 0.4164
 Raman1 Fr= 1--      39.209                 33.082                  4.765
 ROA1   Fr= 1--     369.687               -248.846                 33.030
 CID1   Fr= 1--       9.429                 -7.522                  6.932
 Raman2 Fr= 1--      10.138                 13.757                  1.807
 ROA2   Fr= 1--     129.641                -82.594                  1.595
 CID2   Fr= 1--      12.788                 -6.004                  0.883
 Raman3 Fr= 1--      20.275                 27.514                  3.614
 ROA3   Fr= 1--     369.687               -248.846                 33.030
 CID3   Fr= 1--      18.233                 -9.044                  9.139
 RC180  Fr= 1--       0.034                  0.663                  0.517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00    -0.01   0.02  -0.00    -0.02   0.01   0.00
     2   6     0.02  -0.03   0.00    -0.01   0.01  -0.00    -0.01   0.01   0.00
     3   6     0.04   0.01  -0.01    -0.02  -0.01   0.00    -0.01  -0.01   0.00
     4   6    -0.02  -0.02   0.00     0.01   0.01  -0.00     0.01  -0.01  -0.00
     5   6    -0.11   0.03   0.01     0.05  -0.01  -0.01     0.03  -0.01  -0.00
     6   6    -0.03   0.00   0.00     0.02  -0.01  -0.00     0.02   0.00  -0.00
     7   6    -0.01  -0.01   0.00     0.01  -0.00  -0.00     0.02   0.00  -0.00
     8   6     0.00   0.02  -0.01     0.00  -0.01  -0.00    -0.01  -0.01   0.00
     9   6     0.10  -0.03   0.01    -0.04   0.03   0.01    -0.03   0.03   0.00
    10   6     0.03   0.04  -0.01    -0.02  -0.03   0.00    -0.01  -0.02   0.00
    11   6    -0.16  -0.04  -0.08     0.05   0.00  -0.14     0.02  -0.04  -0.03
    12   8    -0.01   0.01   0.00     0.01  -0.01  -0.00     0.01  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.22   0.12  -0.03    -0.12  -0.07   0.02    -0.07  -0.04   0.01
    15   1    -0.05   0.05   0.00     0.04  -0.04  -0.00     0.02  -0.03   0.00
    16   1     0.21  -0.09  -0.01    -0.12   0.05   0.01    -0.08   0.04   0.00
    17   1    -0.10   0.03   0.01    -0.02   0.01  -0.00    -0.04   0.03   0.00
    18   1     0.04   0.05   0.01    -0.06  -0.06   0.03    -0.05  -0.04   0.01
    19   1     0.02   0.06   0.01     0.07  -0.06   0.01     0.06  -0.04   0.02
    20   1     0.61   0.27   0.40    -0.18  -0.18   0.85    -0.27  -0.14  -0.39
    21   6     0.04   0.01   0.03    -0.04   0.06   0.04    -0.00  -0.02   0.04
    22   6     0.03   0.05   0.01    -0.01   0.00  -0.00     0.01   0.25   0.13
    23   1     0.01  -0.02   0.00     0.00   0.00  -0.00     0.00  -0.01   0.00
    24   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   1    -0.12   0.00   0.10     0.08  -0.13   0.10     0.04   0.11  -0.06
    27   1    -0.15  -0.06  -0.07     0.03   0.09  -0.17     0.00  -0.00  -0.15
    28   1     0.03  -0.01  -0.13    -0.02  -0.19   0.01    -0.01   0.03  -0.13
    29   8     0.02  -0.04   0.04     0.02  -0.02   0.02     0.01  -0.06   0.00
    30   8    -0.02   0.01  -0.03    -0.00   0.00  -0.01    -0.03  -0.04  -0.07
    31   1     0.07  -0.32   0.06     0.01  -0.06   0.01     0.17  -0.73   0.11
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1389.2627              1403.3210              1412.6404
 Red. masses --      2.4601                 2.6046                 3.6615
 Frc consts  --      2.7975                 3.0221                 4.3050
 IR Inten    --     14.2226                13.1619                 1.4105
 RamAct Fr= 1--     94.7125                 2.9545               528.2600
  Dep-P Fr= 1--      0.1914                 0.1400                 0.2054
  Dep-U Fr= 1--      0.3213                 0.2456                 0.3409
 Alpha2 Fr= 1--      1.3157                 0.0468                 7.0708
 Beta2  Fr= 1--      5.0725                 0.1209                30.0105
 AlphaG Fr= 1--      0.2001                -0.0096                 1.5534
 Gamma2 Fr= 1--      2.1387                -0.7892                 1.5000
 Delta2 Fr= 1--      4.4945                 0.0444                -3.7139
 Raman1 Fr= 1--     378.850                 11.818               2113.040
 ROA1   Fr= 1--     349.141                -74.346                 25.153
 CID1   Fr= 1--       0.922                 -6.291                  0.012
 Raman2 Fr= 1--      60.870                  1.451                360.126
 ROA2   Fr= 1--      15.374                -19.297                 65.712
 CID2   Fr= 1--       0.253                -13.299                  0.182
 Raman3 Fr= 1--     121.740                  2.902                720.253
 ROA3   Fr= 1--     349.141                -74.346                 25.153
 CID3   Fr= 1--       2.868                -25.619                  0.035
 RC180  Fr= 1--      -0.357                 -0.509                 -0.318
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.19  -0.01    -0.06   0.03   0.00    -0.01  -0.06   0.01
     2   6    -0.06  -0.03   0.01    -0.12  -0.06   0.02     0.06   0.06  -0.01
     3   6    -0.00  -0.10   0.01     0.16  -0.05  -0.01    -0.10  -0.01   0.01
     4   6     0.04  -0.06   0.00    -0.06  -0.02   0.01     0.09   0.25  -0.03
     5   6     0.05   0.12  -0.02    -0.06  -0.04   0.01    -0.07  -0.23   0.03
     6   6     0.13  -0.06  -0.01     0.11   0.06  -0.02    -0.03   0.04  -0.00
     7   6     0.09  -0.03  -0.01     0.09   0.07  -0.02     0.14  -0.08  -0.01
     8   6    -0.02   0.04  -0.00    -0.13  -0.08   0.02    -0.11  -0.05   0.01
     9   6    -0.01   0.07  -0.00    -0.07   0.03   0.00    -0.06   0.18  -0.01
    10   6    -0.06  -0.06   0.01     0.14  -0.05  -0.01     0.08  -0.06  -0.00
    11   6    -0.04  -0.03   0.03     0.04   0.01  -0.01    -0.03  -0.03   0.01
    12   8     0.02  -0.03   0.00    -0.00   0.02  -0.00     0.02  -0.00  -0.00
    13   6     0.01   0.03  -0.00    -0.01   0.01   0.00    -0.01   0.00   0.00
    14   1    -0.26  -0.19   0.05     0.25   0.25  -0.05    -0.13  -0.09   0.02
    15   1     0.10  -0.16   0.01    -0.39   0.16   0.02    -0.19   0.02   0.02
    16   1    -0.21   0.07   0.01    -0.13   0.16  -0.00    -0.32   0.14   0.02
    17   1    -0.47   0.18   0.03     0.01   0.11  -0.01    -0.03  -0.01   0.00
    18   1    -0.32  -0.20   0.05     0.35   0.32  -0.07    -0.16  -0.09   0.03
    19   1    -0.07  -0.07   0.01    -0.40   0.15   0.03     0.22  -0.12  -0.01
    20   1     0.43   0.20  -0.12    -0.07  -0.04   0.04     0.48   0.21  -0.05
    21   6     0.02  -0.01  -0.02    -0.01   0.02  -0.01    -0.00  -0.04   0.04
    22   6     0.00  -0.02  -0.02    -0.00   0.00   0.00     0.00  -0.03  -0.02
    23   1     0.07  -0.09   0.00     0.07  -0.16   0.01    -0.02   0.03  -0.00
    24   1    -0.00  -0.02   0.04     0.10  -0.02  -0.00     0.01  -0.00  -0.00
    25   1    -0.01  -0.03  -0.03     0.10  -0.02  -0.01     0.01  -0.00  -0.00
    26   1    -0.05   0.01   0.01     0.02  -0.09   0.04     0.06   0.22  -0.14
    27   1    -0.05  -0.04   0.06    -0.02   0.00   0.08     0.08   0.01  -0.22
    28   1     0.02   0.01   0.01     0.01  -0.08   0.06    -0.04   0.15  -0.21
    29   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    30   8     0.00   0.01   0.01     0.00  -0.00   0.00     0.00   0.01   0.01
    31   1    -0.01   0.05  -0.01    -0.00   0.01  -0.00    -0.01   0.05  -0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1418.6748              1456.8846              1479.8450
 Red. masses --      1.3078                 3.3322                 1.2094
 Frc consts  --      1.5508                 4.1671                 1.5604
 IR Inten    --      3.3840                 1.5734                 7.1192
 RamAct Fr= 1--     41.1664               162.0369                 4.3512
  Dep-P Fr= 1--      0.1898                 0.2514                 0.6159
  Dep-U Fr= 1--      0.3190                 0.4018                 0.7623
 Alpha2 Fr= 1--      0.5743                 1.9129                 0.0107
 Beta2  Fr= 1--      2.1887                10.8511                 0.5528
 AlphaG Fr= 1--      0.1193                 0.4921                 0.0028
 Gamma2 Fr= 1--     -0.6498                 7.1345                -0.7752
 Delta2 Fr= 1--      0.7235                -0.1180                -0.1282
 Raman1 Fr= 1--     164.666                648.148                 17.405
 ROA1   Fr= 1--     -39.229                681.133                -78.523
 CID1   Fr= 1--      -0.238                  1.051                 -4.512
 Raman2 Fr= 1--      26.264                130.213                  6.634
 ROA2   Fr= 1--     -21.384                172.171                -17.580
 CID2   Fr= 1--      -0.814                  1.322                 -2.650
 Raman3 Fr= 1--      52.528                260.426                 13.268
 ROA3   Fr= 1--     -39.229                681.133                -78.523
 CID3   Fr= 1--      -0.747                  2.615                 -5.918
 RC180  Fr= 1--      -0.362                 -0.196                  0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.04  -0.15   0.01    -0.01  -0.01   0.00
     2   6     0.03   0.02  -0.00    -0.12   0.04   0.01    -0.05  -0.03   0.01
     3   6    -0.03   0.00   0.00     0.13   0.03  -0.02    -0.01   0.01   0.00
     4   6     0.03   0.04  -0.01    -0.17   0.01   0.02    -0.01  -0.01   0.00
     5   6    -0.01  -0.04   0.00     0.15  -0.01  -0.01     0.02  -0.00  -0.00
     6   6    -0.02   0.00   0.00     0.11   0.00  -0.01     0.01   0.03  -0.00
     7   6     0.02  -0.01  -0.00    -0.12  -0.01   0.01     0.03  -0.01  -0.00
     8   6    -0.02  -0.00   0.00     0.13  -0.04  -0.01    -0.00   0.01  -0.00
     9   6    -0.01   0.02  -0.00    -0.02   0.17  -0.01    -0.03   0.01   0.00
    10   6     0.01   0.00  -0.00    -0.13  -0.03   0.02     0.01  -0.02   0.00
    11   6    -0.00  -0.01  -0.00    -0.03  -0.05   0.01     0.00  -0.00  -0.00
    12   8     0.01  -0.00  -0.00    -0.02   0.04  -0.00     0.03  -0.01  -0.00
    13   6    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.07  -0.07  -0.00
    14   1    -0.05  -0.04   0.01     0.04   0.19  -0.02     0.16   0.13  -0.03
    15   1     0.02  -0.02  -0.00    -0.31   0.23   0.01     0.04  -0.01  -0.00
    16   1    -0.04   0.01   0.00    -0.20   0.13   0.01     0.09   0.00  -0.01
    17   1     0.00  -0.00  -0.00     0.19  -0.14  -0.00    -0.08   0.04   0.00
    18   1    -0.03  -0.01   0.00    -0.07  -0.23   0.03    -0.06  -0.04   0.01
    19   1     0.10  -0.04  -0.01     0.42  -0.25  -0.02    -0.06   0.01   0.01
    20   1     0.02   0.00  -0.06     0.38   0.14  -0.06     0.03   0.01  -0.01
    21   6     0.03   0.07  -0.11     0.01   0.00  -0.02    -0.00   0.00  -0.00
    22   6     0.00   0.04   0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   1    -0.01   0.02  -0.00    -0.00  -0.04   0.00    -0.23   0.52  -0.03
    24   1    -0.01   0.00   0.00     0.07   0.02  -0.04    -0.44   0.27  -0.15
    25   1    -0.01   0.00   0.00     0.07   0.03   0.03    -0.41   0.30   0.18
    26   1    -0.23  -0.43   0.30    -0.07  -0.02   0.03     0.04  -0.02  -0.00
    27   1    -0.23  -0.08   0.51    -0.04  -0.02   0.03     0.01   0.00   0.03
    28   1     0.10  -0.26   0.47     0.02  -0.01   0.07    -0.00  -0.01  -0.03
    29   8     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   8    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.02  -0.08   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1494.9600              1495.6971              1502.6655
 Red. masses --      1.0488                 1.0467                 1.0524
 Frc consts  --      1.3810                 1.3796                 1.4001
 IR Inten    --      9.7971                 7.7628                12.0344
 RamAct Fr= 1--      6.3608                12.3871                 6.7502
  Dep-P Fr= 1--      0.7452                 0.7497                 0.5863
  Dep-U Fr= 1--      0.8540                 0.8570                 0.7392
 Alpha2 Fr= 1--      0.0005                 0.0001                 0.0206
 Beta2  Fr= 1--      0.9053                 1.7692                 0.8316
 AlphaG Fr= 1--      0.0070                 0.0027                 0.1998
 Gamma2 Fr= 1--      0.7125                 0.3788                 2.7644
 Delta2 Fr= 1--     -0.5160                 0.1953                 1.8366
 Raman1 Fr= 1--      25.443                 49.548                 27.001
 ROA1   Fr= 1--      51.892                 42.615                324.154
 CID1   Fr= 1--       2.040                  0.860                 12.005
 Raman2 Fr= 1--      10.864                 21.231                  9.979
 ROA2   Fr= 1--      21.229                  7.530                 51.653
 CID2   Fr= 1--       1.954                  0.355                  5.176
 Raman3 Fr= 1--      21.728                 42.462                 19.959
 ROA3   Fr= 1--      51.892                 42.615                324.154
 CID3   Fr= 1--       2.388                  1.004                 16.241
 RC180  Fr= 1--       0.708                  0.714                  0.478
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.01   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.01   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.02  -0.02
    12   8    -0.01   0.00   0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    13   6    -0.01   0.00  -0.00    -0.01  -0.01  -0.06    -0.00  -0.00   0.00
    14   1     0.01   0.00  -0.00    -0.00  -0.00  -0.02     0.00   0.00  -0.00
    15   1     0.01   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.02  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.02   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    18   1    -0.03  -0.03   0.01     0.00   0.00   0.00    -0.01  -0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.01   0.02
    20   1     0.05   0.05  -0.05    -0.00  -0.00   0.00     0.02  -0.01   0.05
    21   6    -0.04   0.02   0.01     0.00  -0.00  -0.00    -0.03  -0.04  -0.02
    22   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.02   0.01
    23   1     0.02  -0.04   0.01     0.07   0.07   0.71     0.00  -0.01  -0.00
    24   1     0.03  -0.01   0.01    -0.47  -0.05   0.13     0.00   0.01  -0.01
    25   1     0.04  -0.01  -0.01     0.48   0.06   0.01     0.00   0.01   0.00
    26   1     0.60  -0.35  -0.06    -0.01   0.01   0.00    -0.15  -0.30   0.20
    27   1     0.13   0.06   0.46    -0.00  -0.00  -0.01     0.61   0.24   0.07
    28   1    -0.05  -0.12  -0.49     0.00   0.00   0.01    -0.06   0.62   0.13
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.02   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.9339              1524.3811              1547.5136
 Red. masses --      1.0601                 2.3928                 3.5057
 Frc consts  --      1.4184                 3.2760                 4.9464
 IR Inten    --     47.9664                21.1815                75.5772
 RamAct Fr= 1--     20.1634               126.6350                 9.9183
  Dep-P Fr= 1--      0.4471                 0.2640                 0.2312
  Dep-U Fr= 1--      0.6179                 0.4177                 0.3756
 Alpha2 Fr= 1--      0.1251                 1.4428                 0.1238
 Beta2  Fr= 1--      2.0766                 8.8157                 0.6208
 AlphaG Fr= 1--      0.0218                 0.4713                 0.0069
 Gamma2 Fr= 1--      0.8889                 1.6526                -0.5610
 Delta2 Fr= 1--      0.2029                -1.0906                -0.1635
 Raman1 Fr= 1--      80.654                506.540                 39.673
 ROA1   Fr= 1--      91.829                123.748                -59.091
 CID1   Fr= 1--       1.139                  0.244                 -1.489
 Raman2 Fr= 1--      24.919                105.789                  7.450
 ROA2   Fr= 1--      19.711                 48.386                -12.157
 CID2   Fr= 1--       0.791                  0.457                 -1.632
 Raman3 Fr= 1--      49.837                211.577                 14.900
 ROA3   Fr= 1--      91.829                123.748                -59.091
 CID3   Fr= 1--       1.843                  0.585                 -3.966
 RC180  Fr= 1--       0.236                 -0.165                 -0.249
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.00     0.14  -0.02  -0.01     0.08   0.17  -0.03
     2   6     0.00  -0.00   0.00    -0.05  -0.06   0.01    -0.06  -0.16   0.02
     3   6    -0.01   0.00   0.00    -0.03   0.05  -0.00    -0.10  -0.03   0.01
     4   6    -0.00   0.00  -0.00    -0.13   0.04   0.01     0.12  -0.06  -0.01
     5   6     0.00  -0.00  -0.00     0.08  -0.02  -0.01     0.14  -0.06  -0.01
     6   6    -0.01   0.00   0.00    -0.08   0.05   0.00    -0.14   0.12   0.00
     7   6     0.01  -0.01  -0.00     0.11  -0.09  -0.00    -0.09   0.10  -0.00
     8   6     0.00   0.01  -0.00     0.06   0.10  -0.02    -0.05  -0.13   0.02
     9   6    -0.01  -0.01   0.00    -0.13  -0.02   0.01     0.01   0.18  -0.02
    10   6     0.00  -0.00  -0.00     0.07  -0.04  -0.00    -0.05  -0.06   0.01
    11   6     0.00   0.00  -0.00     0.03   0.00  -0.00    -0.01  -0.03   0.00
    12   8    -0.02  -0.01   0.00    -0.05   0.01   0.00    -0.03  -0.02   0.00
    13   6    -0.03  -0.04   0.01    -0.02   0.03  -0.00    -0.01   0.02  -0.00
    14   1    -0.00  -0.01   0.00     0.30   0.21  -0.05     0.39   0.18  -0.06
    15   1     0.04  -0.02  -0.00     0.15  -0.01  -0.01     0.24  -0.17  -0.01
    16   1     0.02  -0.01  -0.00     0.28  -0.08  -0.02     0.45  -0.10  -0.04
    17   1    -0.04   0.01   0.00    -0.41   0.10   0.03     0.31  -0.05  -0.03
    18   1    -0.03  -0.02   0.01    -0.38  -0.25   0.06     0.25   0.10  -0.04
    19   1    -0.02   0.01   0.00    -0.26   0.08   0.02     0.14  -0.14  -0.00
    20   1    -0.01  -0.00   0.00     0.01  -0.00   0.00     0.18   0.06  -0.02
    21   6     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00  -0.00  -0.00
    23   1     0.14  -0.36   0.03     0.05  -0.13   0.01     0.06  -0.12   0.00
    24   1     0.17   0.44  -0.44     0.13  -0.18   0.13     0.07  -0.06   0.04
    25   1     0.25   0.52   0.30     0.10  -0.20  -0.12     0.06  -0.07  -0.05
    26   1    -0.01   0.01  -0.00    -0.08   0.04   0.01    -0.00  -0.00  -0.00
    27   1    -0.01  -0.01  -0.01    -0.04  -0.01  -0.05     0.01   0.00  -0.00
    28   1     0.00  -0.01   0.01     0.01  -0.01   0.08    -0.00   0.01   0.00
    29   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1609.1984              1652.2589              1676.2956
 Red. masses --      6.8291                 5.6802                 6.3361
 Frc consts  --     10.4192                 9.1364                10.4900
 IR Inten    --      5.9389                99.5114                67.2266
 RamAct Fr= 1--     72.9804                 3.7344               284.8108
  Dep-P Fr= 1--      0.5822                 0.6513                 0.3628
  Dep-U Fr= 1--      0.7359                 0.7888                 0.5325
 Alpha2 Fr= 1--      0.2293                 0.0066                 2.3974
 Beta2  Fr= 1--      8.9515                 0.4910                25.2754
 AlphaG Fr= 1--      0.1568                -0.0449                 2.1181
 Gamma2 Fr= 1--      1.9684                -0.1001                19.9842
 Delta2 Fr= 1--     -2.5066                -0.6222                -1.6400
 Raman1 Fr= 1--     291.922                 14.937               1139.243
 ROA1   Fr= 1--     108.752                -29.520               1866.002
 CID1   Fr= 1--       0.373                 -1.976                  1.638
 Raman2 Fr= 1--     107.417                  5.892                303.304
 ROA2   Fr= 1--      67.293                  2.575                492.741
 CID2   Fr= 1--       0.626                  0.437                  1.625
 Raman3 Fr= 1--     214.835                 11.783                606.609
 ROA3   Fr= 1--     108.752                -29.520               1866.002
 CID3   Fr= 1--       0.506                 -2.505                  3.076
 RC180  Fr= 1--       0.472                  0.578                  0.065
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.24   0.02    -0.20   0.13   0.01    -0.15   0.11   0.00
     2   6     0.20   0.17  -0.04     0.20   0.03  -0.02     0.17   0.01  -0.02
     3   6    -0.06   0.16  -0.01     0.20  -0.13  -0.01     0.23  -0.11  -0.01
     4   6    -0.08  -0.27   0.04    -0.01   0.00   0.00    -0.25   0.07   0.02
     5   6     0.07   0.27  -0.03    -0.03  -0.02   0.01     0.25  -0.09  -0.02
     6   6    -0.15  -0.09   0.02    -0.20   0.02   0.02    -0.24   0.06   0.02
     7   6     0.14   0.09  -0.02    -0.23   0.01   0.02     0.22  -0.05  -0.02
     8   6    -0.17  -0.15   0.03     0.24   0.06  -0.03    -0.16  -0.03   0.02
     9   6    -0.05   0.24  -0.02    -0.20   0.11   0.01     0.13  -0.08  -0.00
    10   6     0.10  -0.17   0.01     0.21  -0.12  -0.01    -0.21   0.10   0.01
    11   6     0.00  -0.02   0.00     0.02  -0.02  -0.00    -0.01   0.01   0.00
    12   8     0.00   0.02  -0.00     0.02  -0.02  -0.00     0.01  -0.01   0.00
    13   6    -0.01  -0.01   0.00     0.02  -0.00  -0.00     0.02  -0.01  -0.00
    14   1    -0.25  -0.19   0.04    -0.16  -0.27   0.04    -0.08  -0.19   0.03
    15   1     0.23   0.05  -0.03    -0.29   0.05   0.02    -0.31   0.10   0.02
    16   1     0.11  -0.20   0.01     0.17  -0.13  -0.00     0.29  -0.15  -0.02
    17   1    -0.13   0.20  -0.01     0.18  -0.17  -0.00    -0.25   0.14   0.01
    18   1     0.18   0.15  -0.03    -0.19  -0.31   0.05     0.09   0.18  -0.03
    19   1    -0.33  -0.02   0.04    -0.33   0.07   0.03     0.33  -0.10  -0.03
    20   1     0.19   0.06  -0.01     0.12   0.03  -0.01    -0.08  -0.02   0.01
    21   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00    -0.01   0.02  -0.01     0.01  -0.01   0.01
    23   1    -0.03   0.03   0.00     0.01   0.03  -0.00     0.01   0.02  -0.00
    24   1     0.01   0.01  -0.02    -0.06   0.05  -0.04    -0.05   0.04  -0.03
    25   1     0.01   0.01   0.01    -0.05   0.06   0.04    -0.04   0.05   0.03
    26   1    -0.02   0.01  -0.00    -0.03  -0.00   0.01     0.02   0.00  -0.01
    27   1     0.02   0.01  -0.03    -0.00   0.00  -0.01    -0.01  -0.00   0.01
    28   1    -0.00   0.02   0.02     0.01  -0.00   0.03    -0.00  -0.01  -0.02
    29   8     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.00   0.01  -0.01
    30   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1808.2370              3008.3383              3045.5832
 Red. masses --      9.5572                 1.0348                 1.0364
 Frc consts  --     18.4116                 5.5175                 5.6638
 IR Inten    --    361.2354                68.5769                29.1135
 RamAct Fr= 1--     24.3012               223.9344               250.5177
  Dep-P Fr= 1--      0.1809                 0.0345                 0.0800
  Dep-U Fr= 1--      0.3063                 0.0667                 0.1482
 Alpha2 Fr= 1--      0.3470                 4.5890                 4.6043
 Beta2  Fr= 1--      1.2407                 2.4898                 6.1891
 AlphaG Fr= 1--      0.0871                 0.3811                -1.1774
 Gamma2 Fr= 1--      2.5572                 0.6150                -0.2238
 Delta2 Fr= 1--     -3.9838                -0.8998                 0.3236
 Raman1 Fr= 1--      97.205                895.738               1002.071
 ROA1   Fr= 1--     118.010                 30.247                -11.129
 CID1   Fr= 1--       1.214                  0.034                 -0.011
 Raman2 Fr= 1--      14.888                 29.878                 74.269
 ROA2   Fr= 1--      93.244                 21.958                 -7.960
 CID2   Fr= 1--       6.263                  0.735                 -0.107
 Raman3 Fr= 1--      29.777                 59.756                148.539
 ROA3   Fr= 1--     118.010                 30.247                -11.129
 CID3   Fr= 1--       3.963                  0.506                 -0.075
 RC180  Fr= 1--      -0.387                 -0.867                 -0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.03   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.02  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.03   0.01  -0.07    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.01   0.05  -0.00     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.02   0.02  -0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.01  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1    -0.04   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    20   1     0.13   0.03   0.22     0.00  -0.00  -0.00    -0.01   0.02   0.00
    21   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.03  -0.01   0.04
    22   6     0.33  -0.31   0.54     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00     0.26   0.13  -0.04    -0.00  -0.00   0.00
    24   1     0.00  -0.00   0.00    -0.12  -0.42  -0.51     0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.01  -0.32   0.60     0.00   0.00  -0.00
    26   1    -0.02  -0.02   0.00    -0.00  -0.00  -0.00    -0.21  -0.27  -0.46
    27   1    -0.01  -0.00   0.00    -0.00   0.00   0.00    -0.17   0.39   0.03
    28   1     0.00  -0.01   0.03     0.00   0.00  -0.00     0.69   0.05  -0.05
    29   8    -0.20   0.22  -0.33    -0.00   0.00  -0.00     0.00   0.00   0.00
    30   8    -0.03   0.03  -0.04    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    31   1     0.11  -0.46   0.08    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.1576              3083.8909              3106.9101
 Red. masses --      1.1058                 1.0851                 1.1020
 Frc consts  --      6.1174                 6.0800                 6.2673
 IR Inten    --     36.5745                 4.6656                28.2040
 RamAct Fr= 1--     65.9035                67.5212               120.1890
  Dep-P Fr= 1--      0.7500                 0.2193                 0.6913
  Dep-U Fr= 1--      0.8571                 0.3598                 0.8175
 Alpha2 Fr= 1--      0.0000                 0.8707                 0.1236
 Beta2  Fr= 1--      9.4147                 4.0485                16.3750
 AlphaG Fr= 1--      0.0132                 0.2570                 0.2957
 Gamma2 Fr= 1--      1.7533                -3.2480                -4.0902
 Delta2 Fr= 1--      1.5723                -0.7342                 1.4166
 Raman1 Fr= 1--     263.614                270.085                480.756
 ROA1   Fr= 1--     218.631               -335.306               -347.325
 CID1   Fr= 1--       0.829                 -1.241                 -0.722
 Raman2 Fr= 1--     112.976                 48.583                196.500
 ROA2   Fr= 1--      29.501                -72.079               -109.498
 CID2   Fr= 1--       0.261                 -1.484                 -0.557
 Raman3 Fr= 1--     225.953                 97.165                392.999
 ROA3   Fr= 1--     218.631               -335.306               -347.325
 CID3   Fr= 1--       0.968                 -3.451                 -0.884
 RC180  Fr= 1--       0.714                 -0.280                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.03  -0.07  -0.01    -0.00   0.00  -0.00
    12   8     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.01  -0.01  -0.09     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00     0.02  -0.02  -0.00    -0.00   0.00  -0.00
    19   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.40   0.88   0.07     0.03  -0.06  -0.00
    21   6     0.00   0.00  -0.00    -0.01   0.02   0.00    -0.08  -0.02  -0.04
    22   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1    -0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.14   0.46   0.52    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1    -0.03  -0.34   0.61     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00    -0.01  -0.01  -0.02     0.24   0.33   0.57
    27   1     0.00  -0.00  -0.00     0.08  -0.19  -0.01     0.05  -0.16  -0.02
    28   1    -0.00  -0.00   0.00     0.07   0.01  -0.00     0.68   0.05  -0.06
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3131.1859              3134.4976              3165.8144
 Red. masses --      1.1003                 1.0988                 1.0863
 Frc consts  --      6.3562                 6.3604                 6.4146
 IR Inten    --     15.2651                25.1774                 3.9294
 RamAct Fr= 1--     26.4445               180.1568                62.4865
  Dep-P Fr= 1--      0.5333                 0.4226                 0.7242
  Dep-U Fr= 1--      0.6956                 0.5941                 0.8400
 Alpha2 Fr= 1--      0.1108                 1.2286                 0.0277
 Beta2  Fr= 1--      3.0658                17.8388                 8.7485
 AlphaG Fr= 1--     -0.1866                -0.1456                -0.0563
 Gamma2 Fr= 1--     -1.1618                -0.4322                -3.1495
 Delta2 Fr= 1--     -1.0557                -0.7067                 1.5929
 Raman1 Fr= 1--     105.778                720.627                249.946
 ROA1   Fr= 1--    -145.315                -64.103               -251.381
 CID1   Fr= 1--      -1.374                 -0.089                 -1.006
 Raman2 Fr= 1--      36.789                214.066                104.982
 ROA2   Fr= 1--     -19.438                 -4.719                -88.332
 CID2   Fr= 1--      -0.528                 -0.022                 -0.841
 Raman3 Fr= 1--      73.579                428.131                209.963
 ROA3   Fr= 1--    -145.315                -64.103               -251.381
 CID3   Fr= 1--      -1.975                 -0.150                 -1.197
 RC180  Fr= 1--       0.391                  0.188                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.06   0.01
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.04   0.05  -0.00
     9   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.07  -0.05   0.01    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.02  -0.02   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.05   0.01
    16   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
    17   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.24   0.65  -0.09
    18   1     0.01  -0.02   0.00     0.00  -0.00   0.00     0.45  -0.54   0.02
    19   1    -0.02  -0.06   0.01     0.00  -0.00   0.00     0.01   0.02  -0.00
    20   1    -0.08   0.19   0.01    -0.00   0.00   0.00     0.01  -0.03  -0.00
    21   6     0.03  -0.08  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   1    -0.01  -0.00   0.00     0.86   0.41  -0.13     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.03   0.11   0.15     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00    -0.01   0.08  -0.17    -0.00   0.00  -0.00
    26   1     0.15   0.18   0.33     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.34   0.79   0.03    -0.00   0.01   0.00     0.00  -0.01  -0.00
    28   1    -0.19  -0.03   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3170.2965              3179.4823              3182.8696
 Red. masses --      1.0890                 1.0894                 1.0944
 Frc consts  --      6.4490                 6.4887                 6.5322
 IR Inten    --      5.3200                11.0683                11.4679
 RamAct Fr= 1--     43.0995                53.5621               130.7255
  Dep-P Fr= 1--      0.4608                 0.4128                 0.1930
  Dep-U Fr= 1--      0.6309                 0.5844                 0.3236
 Alpha2 Fr= 1--      0.2528                 0.3787                 1.8083
 Beta2  Fr= 1--      4.5321                 5.2171                 7.0503
 AlphaG Fr= 1--      0.0465                 0.2016                -0.4793
 Gamma2 Fr= 1--      0.8571                 4.2038                -3.1320
 Delta2 Fr= 1--     -0.3846                 1.4059                -0.8102
 Raman1 Fr= 1--     172.398                214.249                522.902
 ROA1   Fr= 1--      69.972                448.557               -326.596
 CID1   Fr= 1--       0.406                  2.094                 -0.625
 Raman2 Fr= 1--      54.386                 62.605                 84.604
 ROA2   Fr= 1--      23.646                 89.644                -68.686
 CID2   Fr= 1--       0.435                  1.432                 -0.812
 Raman3 Fr= 1--     108.771                125.211                169.207
 ROA3   Fr= 1--      69.972                448.557               -326.596
 CID3   Fr= 1--       0.643                  3.582                 -1.930
 RC180  Fr= 1--       0.262                  0.169                 -0.353
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.03  -0.08   0.01    -0.01  -0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.02  -0.05   0.01
     8   6    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.04  -0.04   0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.01   0.01  -0.00    -0.03  -0.08   0.01     0.00   0.02  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.11  -0.15   0.00     0.03  -0.03   0.00    -0.00   0.01  -0.00
    15   1     0.02   0.05  -0.01     0.00   0.01  -0.00    -0.11  -0.29   0.04
    16   1     0.33   0.89  -0.12     0.06   0.17  -0.02    -0.00  -0.01   0.00
    17   1    -0.00  -0.00   0.00     0.04   0.11  -0.02     0.23   0.60  -0.09
    18   1     0.01  -0.01   0.00    -0.10   0.12  -0.00    -0.42   0.51  -0.01
    19   1    -0.06  -0.17   0.02     0.33   0.89  -0.11    -0.06  -0.17   0.02
    20   1     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.01   0.02   0.00
    21   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   1    -0.01  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    27   1     0.01  -0.01  -0.00    -0.02   0.06   0.00     0.00  -0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3186.9783              3214.7815              3728.7439
 Red. masses --      1.0905                 1.0911                 1.0641
 Frc consts  --      6.5260                 6.6438                 8.7165
 IR Inten    --      7.7096                 7.8298                69.0306
 RamAct Fr= 1--    187.9009               137.9746               105.3497
  Dep-P Fr= 1--      0.2067                 0.2300                 0.2465
  Dep-U Fr= 1--      0.3426                 0.3740                 0.3955
 Alpha2 Fr= 1--      2.5064                 1.7284                 1.2609
 Beta2  Fr= 1--     10.7306                 8.5993                 6.9440
 AlphaG Fr= 1--     -0.4543                 0.2475                 0.9658
 Gamma2 Fr= 1--     -1.7242                 1.8408                10.1358
 Delta2 Fr= 1--     -0.6634                 0.2252                -2.1860
 Raman1 Fr= 1--     751.603                551.899                421.399
 ROA1   Fr= 1--    -186.749                183.920                903.088
 CID1   Fr= 1--      -0.248                  0.333                  2.143
 Raman2 Fr= 1--     128.767                103.192                 83.328
 ROA2   Fr= 1--     -36.074                 42.377                260.748
 CID2   Fr= 1--      -0.280                  0.411                  3.129
 Raman3 Fr= 1--     257.534                206.384                166.657
 ROA3   Fr= 1--    -186.749                183.920                903.088
 CID3   Fr= 1--      -0.725                  0.891                  5.419
 RC180  Fr= 1--      -0.315                 -0.252                 -0.209
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.05  -0.07   0.00     0.00   0.00  -0.00
     3   6    -0.03  -0.08   0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.00   0.00   0.00    -0.61   0.76  -0.01     0.00  -0.00   0.00
    15   1     0.34   0.87  -0.12     0.00   0.01  -0.00     0.00   0.00  -0.00
    16   1    -0.02  -0.05   0.01     0.07   0.17  -0.02    -0.00  -0.00   0.00
    17   1     0.08   0.23  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.11   0.14  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.02  -0.05   0.01     0.00   0.01  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    24   1    -0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00   0.01  -0.02     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    29   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    30   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.02  -0.02  -0.05
    31   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.36   0.31   0.88

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  8 and mass  15.99491
 Atom    30 has atomic number  8 and mass  15.99491
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1413.160478595.740719106.36968
           X            0.99993  -0.00576  -0.01068
           Y            0.00565   0.99993  -0.00995
           Z            0.01074   0.00989   0.99989
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06129     0.01008     0.00951
 Rotational constants (GHZ):           1.27710     0.20996     0.19818
 Zero-point vibrational energy     658224.9 (Joules/Mol)
                                  157.31952 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     19.83    56.16    70.94   107.33   166.62
          (Kelvin)            200.39   262.35   281.43   332.49   334.59
                              357.15   390.95   438.01   504.56   566.93
                              600.01   608.45   673.54   695.19   769.98
                              801.93   831.46   858.12   888.37   915.95
                              985.55   995.54  1090.27  1120.35  1150.92
                             1172.59  1176.94  1211.72  1225.38  1289.66
                             1319.38  1348.13  1366.16  1384.07  1410.83
                             1457.92  1531.50  1541.18  1591.44  1668.92
                             1687.19  1688.63  1708.79  1711.21  1725.14
                             1736.28  1814.10  1865.99  1877.33  1904.90
                             1938.16  1941.21  1998.84  2019.07  2032.47
                             2041.16  2096.13  2129.17  2150.91  2151.97
                             2162.00  2168.14  2193.24  2226.53  2315.28
                             2377.23  2411.82  2601.65  4328.33  4381.91
                             4408.64  4437.03  4470.15  4505.08  4509.84
                             4554.90  4561.35  4574.57  4579.44  4585.35
                             4625.35  5364.83
 
 Zero-point correction=                           0.250705 (Hartree/Particle)
 Thermal correction to Energy=                    0.266022
 Thermal correction to Enthalpy=                  0.266966
 Thermal correction to Gibbs Free Energy=         0.206297
 Sum of electronic and zero-point Energies=           -767.722578
 Sum of electronic and thermal Energies=              -767.707261
 Sum of electronic and thermal Enthalpies=            -767.706317
 Sum of electronic and thermal Free Energies=         -767.766985
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.931             58.703            127.688
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.070
 Vibrational            165.154             52.741             52.416
 Vibration     1          0.593              1.986              7.374
 Vibration     2          0.594              1.981              5.308
 Vibration     3          0.595              1.978              4.845
 Vibration     4          0.599              1.966              4.028
 Vibration     5          0.608              1.936              3.169
 Vibration     6          0.615              1.914              2.814
 Vibration     7          0.630              1.864              2.304
 Vibration     8          0.636              1.846              2.174
 Vibration     9          0.653              1.793              1.870
 Vibration    10          0.653              1.791              1.859
 Vibration    11          0.662              1.766              1.743
 Vibration    12          0.675              1.725              1.585
 Vibration    13          0.695              1.665              1.392
 Vibration    14          0.728              1.574              1.163
 Vibration    15          0.761              1.483              0.985
 Vibration    16          0.780              1.433              0.902
 Vibration    17          0.785              1.420              0.882
 Vibration    18          0.825              1.321              0.743
 Vibration    19          0.839              1.287              0.702
 Vibration    20          0.890              1.172              0.576
 Vibration    21          0.913              1.124              0.529
 Vibration    22          0.934              1.079              0.489
 Vibration    23          0.954              1.039              0.456
 Vibration    24          0.977              0.995              0.421
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.128798D-94        -94.890089       -218.492505
 Total V=0       0.266640D+21         20.425925         47.032431
 Vib (Bot)       0.249369-109       -109.603158       -252.370597
 Vib (Bot)    1  0.150337D+02          1.177067          2.710297
 Vib (Bot)    2  0.530147D+01          0.724397          1.667985
 Vib (Bot)    3  0.419277D+01          0.622501          1.433362
 Vib (Bot)    4  0.276301D+01          0.441382          1.016320
 Vib (Bot)    5  0.176635D+01          0.247078          0.568917
 Vib (Bot)    6  0.146018D+01          0.164406          0.378558
 Vib (Bot)    7  0.110062D+01          0.041636          0.095870
 Vib (Bot)    8  0.102106D+01          0.009052          0.020843
 Vib (Bot)    9  0.851884D+00         -0.069620         -0.160305
 Vib (Bot)   10  0.845994D+00         -0.072633         -0.167243
 Vib (Bot)   11  0.786894D+00         -0.104084         -0.239662
 Vib (Bot)   12  0.710607D+00         -0.148371         -0.341636
 Vib (Bot)   13  0.623134D+00         -0.205419         -0.472994
 Vib (Bot)   14  0.525876D+00         -0.279117         -0.642690
 Vib (Bot)   15  0.454303D+00         -0.342654         -0.788990
 Vib (Bot)   16  0.422007D+00         -0.374680         -0.862733
 Vib (Bot)   17  0.414287D+00         -0.382699         -0.881196
 Vib (Bot)   18  0.360874D+00         -0.442644         -1.019226
 Vib (Bot)   19  0.345193D+00         -0.461939         -1.063653
 Vib (Bot)   20  0.297404D+00         -0.526653         -1.212664
 Vib (Bot)   21  0.279563D+00         -0.553520         -1.274527
 Vib (Bot)   22  0.264239D+00         -0.578003         -1.330900
 Vib (Bot)   23  0.251279D+00         -0.599845         -1.381193
 Vib (Bot)   24  0.237484D+00         -0.624365         -1.437653
 Vib (V=0)       0.516246D+06          5.712857         13.154339
 Vib (V=0)    1  0.155421D+02          1.191508          2.743549
 Vib (V=0)    2  0.582500D+01          0.765296          1.762159
 Vib (V=0)    3  0.472248D+01          0.674170          1.552334
 Vib (V=0)    4  0.330788D+01          0.519550          1.196308
 Vib (V=0)    5  0.233576D+01          0.368428          0.848336
 Vib (V=0)    6  0.204341D+01          0.310356          0.714621
 Vib (V=0)    7  0.170887D+01          0.232708          0.535830
 Vib (V=0)    8  0.163691D+01          0.214025          0.492811
 Vib (V=0)    9  0.148778D+01          0.172538          0.397284
 Vib (V=0)   10  0.148270D+01          0.171054          0.393867
 Vib (V=0)   11  0.143231D+01          0.156037          0.359289
 Vib (V=0)   12  0.136889D+01          0.136367          0.313997
 Vib (V=0)   13  0.129893D+01          0.113587          0.261544
 Vib (V=0)   14  0.122563D+01          0.088361          0.203459
 Vib (V=0)   15  0.117557D+01          0.070248          0.161751
 Vib (V=0)   16  0.115429D+01          0.062313          0.143482
 Vib (V=0)   17  0.114933D+01          0.060446          0.139182
 Vib (V=0)   18  0.111663D+01          0.047909          0.110313
 Vib (V=0)   19  0.110758D+01          0.044377          0.102181
 Vib (V=0)   20  0.108176D+01          0.034132          0.078593
 Vib (V=0)   21  0.107285D+01          0.030538          0.070317
 Vib (V=0)   22  0.106553D+01          0.027565          0.063471
 Vib (V=0)   23  0.105959D+01          0.025138          0.057882
 Vib (V=0)   24  0.105353D+01          0.022648          0.052149
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.376492D+07          6.575756         15.141237
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2111111110000                             866655554444444333332221111111000999998888887766665555444433322221111    
     2            1887763308640                             0750420099851108442096098877607618653195411075983197538621950743398317431
     9            5739064174468                             8629847365079339974571799843061431207762285098257768753837414283162965994
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                    X XXX                             XXX X X         X  X X XXXX X XXX     X           XX                     
     X                        X                             XXX X X            X X XXXX   XX                  X                      
     X                        X                             XXX X              X X XX                                                
                                                            X X                X                                                     
                                                            X X                X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000389    0.000001424   -0.000000038
      2        6           0.000000144   -0.000000742   -0.000000096
      3        6          -0.000001098   -0.000000526    0.000000059
      4        6           0.000000500    0.000000285    0.000000187
      5        6           0.000000395    0.000000199   -0.000000347
      6        6          -0.000000318   -0.000000418    0.000000172
      7        6          -0.000001379   -0.000001039    0.000000095
      8        6           0.000000228    0.000000638    0.000000125
      9        6          -0.000000186    0.000000675   -0.000000349
     10        6          -0.000000081   -0.000000802    0.000000272
     11        6           0.000000188   -0.000000131    0.000000473
     12        8          -0.000000119    0.000000109   -0.000000101
     13        6           0.000000311   -0.000000081    0.000000818
     14        1          -0.000000048    0.000000444   -0.000000092
     15        1          -0.000000006    0.000000374   -0.000000092
     16        1           0.000000269    0.000000444   -0.000000095
     17        1           0.000000103    0.000000767   -0.000000068
     18        1           0.000000203   -0.000000709    0.000000054
     19        1           0.000000188    0.000000207   -0.000000058
     20        1           0.000000102   -0.000000320   -0.000000003
     21        6          -0.000000637   -0.000000792    0.000000022
     22        6          -0.000000766   -0.000000261   -0.000000945
     23        1           0.000000155    0.000000503   -0.000000250
     24        1           0.000000003    0.000000232   -0.000000364
     25        1           0.000000003    0.000000660   -0.000000620
     26        1           0.000000069   -0.000000092    0.000000166
     27        1          -0.000000030    0.000000060    0.000000020
     28        1           0.000000719   -0.000000290    0.000000072
     29        8           0.000000389   -0.000000517    0.000000674
     30        8           0.000000514   -0.000000005    0.000000823
     31        1          -0.000000202   -0.000000296   -0.000000514
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000001424 RMS     0.000000462
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.287586D+03 -0.187951D+02 -0.802384D+01
      2  -0.187951D+02  0.178752D+03 -0.518258D+01
      3  -0.802384D+01 -0.518258D+01  0.120178D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.113731D+02  0.204989D+02  0.313966D+01
      2  -0.783511D+02 -0.161131D+01 -0.256017D+02
      3   0.993598D+02 -0.424517D+02 -0.557943D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.413625D+03 -0.105654D+03 -0.875419D+02
      2  -0.177288D+03  0.893545D+02  0.795235D+01
      3  -0.236338D+03  0.162999D+02  0.795895D+02
      4  -0.546255D+02  0.848879D+02 -0.359489D+01
      5  -0.825578D+01  0.225057D+01 -0.845667D+02
      6  -0.298284D+01  0.203908D+02 -0.196226D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.410262D+02 -0.791967D+01 -0.158309D+01 -0.424180D+01  0.242078D+01
      2  -0.791967D+01  0.943942D+01 -0.753687D-01  0.242078D+01 -0.136057D+02
      3  -0.158309D+01 -0.753687D-01  0.317452D+01  0.656740D+00  0.144911D+01
                 6             7             8             9            10 
      1   0.656740D+00 -0.220929D+01  0.110778D+01  0.687535D+01  0.525608D+01
      2   0.144911D+01  0.110778D+01  0.218877D+00 -0.134091D+01  0.228803D+01
      3  -0.147358D+00  0.687535D+01 -0.134091D+01 -0.123452D+01 -0.277199D+00
                11            12            13            14            15 
      1   0.228803D+01 -0.277199D+00 -0.133415D+02  0.388051D+01  0.972658D+00
      2   0.903021D+01 -0.142734D+01  0.388051D+01  0.415450D+01 -0.140675D+01
      3  -0.142734D+01  0.219142D+01  0.972658D+00 -0.140675D+01 -0.140305D+01
                16            17            18            19            20 
      1   0.154206D+01 -0.486816D+00  0.373322D+01 -0.369532D+02  0.112782D+02
      2  -0.486816D+00 -0.192629D+01 -0.251703D+01  0.112782D+02 -0.883361D+01
      3   0.373322D+01 -0.251703D+01 -0.270276D+00  0.161598D+01  0.617421D+00
                21            22            23            24            25 
      1   0.161598D+01  0.194367D+02 -0.545986D+01 -0.780211D+00  0.171898D+01
      2   0.617421D+00 -0.545986D+01  0.716635D+01  0.312184D+00 -0.858475D-01
      3  -0.406103D+00 -0.780211D+00  0.312184D+00  0.220084D+01  0.363149D-01
                26            27            28            29            30 
      1  -0.858475D-01  0.363149D-01  0.361162D+02 -0.972820D+01 -0.139335D+01
      2   0.109690D+01  0.421008D+01 -0.972820D+01  0.306197D+01  0.328757D+00
      3   0.421008D+01 -0.109175D+01 -0.139335D+01  0.328757D+00  0.140161D+00
                31            32            33            34            35 
      1   0.446621D+02 -0.903202D+01 -0.297223D+01 -0.818580D+01  0.213137D+01
      2  -0.903202D+01  0.897034D+01  0.235417D+00  0.213137D+01 -0.116183D+01
      3  -0.297223D+01  0.235417D+00  0.479809D-01  0.137511D+01  0.859476D+00
                36            37            38            39            40 
      1   0.137511D+01 -0.395937D+02  0.108895D+02  0.150522D+01 -0.409586D+02
      2   0.859476D+00  0.108895D+02 -0.738607D+01 -0.443789D+00  0.771436D+01
      3  -0.857098D-01  0.150522D+01 -0.443789D+00  0.185307D+00  0.275758D+01
                41            42            43            44            45 
      1   0.771436D+01  0.275758D+01  0.827710D+01 -0.201509D+01 -0.145152D+01
      2  -0.656931D+01 -0.681899D-01 -0.201509D+01  0.135931D+01 -0.703908D+00
      3  -0.681899D-01 -0.151907D+00 -0.145152D+01 -0.703908D+00  0.106744D+00
                46            47            48            49            50 
      1  -0.603063D+01 -0.296268D+01  0.915932D+00 -0.983478D+00  0.347959D+01
      2  -0.296268D+01 -0.480347D+01  0.319784D+00  0.347959D+01 -0.213721D+01
      3   0.915932D+00  0.319784D+00 -0.197345D+01 -0.701069D+00 -0.697386D+00
                51            52            53            54            55 
      1  -0.701069D+00  0.661887D+00 -0.516240D+00 -0.572829D+00  0.119200D+02
      2  -0.697386D+00 -0.516240D+00 -0.114909D+00 -0.382019D+01  0.119593D+01
      3  -0.129258D+01 -0.572829D+00 -0.382019D+01  0.131351D+01 -0.155278D+01
                56            57            58            59            60 
      1   0.119593D+01 -0.155278D+01 -0.802255D+00 -0.254205D+01  0.747282D+00
      2   0.943321D+01 -0.731506D-02 -0.254205D+01 -0.274377D+00  0.747005D+00
      3  -0.731506D-02  0.163675D+01  0.747282D+00  0.747005D+00  0.133902D+01
                61            62            63            64            65 
      1  -0.711671D+00  0.735398D+00  0.126555D+01 -0.675743D+01 -0.227866D+01
      2   0.735398D+00  0.166472D+00  0.415229D+01 -0.227866D+01 -0.129994D+02
      3   0.126555D+01  0.415229D+01 -0.143242D+01  0.382699D+00  0.122434D+01
                66            67            68            69            70 
      1   0.382699D+00  0.836479D+01 -0.154679D+01 -0.434371D+00 -0.287613D+01
      2   0.122434D+01 -0.154679D+01 -0.762301D+01  0.126747D+01  0.160264D+00
      3  -0.226237D+01 -0.434371D+00  0.126747D+01  0.134542D+01 -0.529253D+01
                71            72            73            74            75 
      1   0.160264D+00 -0.529253D+01 -0.432234D+02  0.568904D+01  0.187547D+01
      2   0.278406D+01  0.250717D+01  0.568904D+01 -0.463453D+01  0.223077D+00
      3   0.250717D+01  0.813465D+00  0.187547D+01  0.223077D+00 -0.148230D+01
                76            77            78            79            80 
      1   0.928046D+01 -0.256228D+01 -0.123462D+01  0.463775D+00 -0.106566D+01
      2  -0.256228D+01  0.172272D+02 -0.125796D+01 -0.106566D+01 -0.787752D+00
      3  -0.123462D+01 -0.125796D+01 -0.354533D+00 -0.594763D+01  0.707110D+00
                81            82            83            84            85 
      1  -0.594763D+01  0.414540D+02 -0.110370D+02 -0.161313D+01 -0.201850D+02
      2   0.707110D+00 -0.110370D+02  0.112928D+02 -0.499950D+00  0.289975D+01
      3   0.860180D+00 -0.161313D+01 -0.499950D+00  0.292313D+00  0.532570D+00
                86            87            88            89            90 
      1   0.289975D+01  0.532570D+00 -0.294630D+01  0.328207D+00 -0.263157D+00
      2  -0.714159D+01  0.691490D-01  0.328207D+00 -0.960175D+00 -0.324734D+01
      3   0.691490D-01 -0.188883D+01 -0.263157D+00 -0.324734D+01  0.148681D+01
                91            92            93            94            95 
      1   0.602391D+01 -0.198469D+01 -0.941753D+00  0.420647D+01  0.225944D+01
      2  -0.198469D+01  0.191652D+01  0.838049D-01  0.225944D+01 -0.306395D+01
      3  -0.941753D+00  0.838049D-01  0.178937D+01 -0.618475D+00 -0.528798D+00
                96            97            98            99           100 
      1  -0.618475D+00  0.433134D+01  0.385695D+00  0.666305D+01 -0.123629D+02
      2  -0.528798D+00  0.385695D+00  0.490345D-01  0.226919D+01  0.489033D+01
      3   0.321179D+01  0.666305D+01  0.226919D+01 -0.652227D+00  0.428507D+00
               101           102           103           104           105 
      1   0.489033D+01  0.428507D+00 -0.788338D+00  0.277236D+01 -0.311101D+00
      2  -0.393728D+01 -0.268205D-01  0.277236D+01  0.119528D+01 -0.421352D+00
      3  -0.268205D-01  0.933753D-01 -0.311101D+00 -0.421352D+00 -0.913630D+00
               106           107           108           109           110 
      1   0.122761D+01 -0.670196D+00  0.128577D+00 -0.124859D+01 -0.404701D+01
      2  -0.670196D+00  0.387818D+00  0.743178D+00 -0.404701D+01  0.146859D+01
      3   0.128577D+00  0.743178D+00 -0.150682D+00  0.331231D+00  0.741626D+00
               111           112           113           114           115 
      1   0.331231D+00 -0.513663D+01 -0.154824D+01  0.104165D+01  0.293362D+00
      2   0.741626D+00 -0.154824D+01  0.188309D+01  0.965152D+00  0.867611D+00
      3  -0.148223D+00  0.104165D+01  0.965152D+00  0.566826D+01 -0.204772D+01
               116           117           118           119           120 
      1   0.867611D+00 -0.204772D+01  0.619605D+01 -0.332667D+01 -0.257958D+00
      2   0.604013D+00  0.442967D+01 -0.332667D+01  0.287706D+01  0.225517D-01
      3   0.442967D+01 -0.117235D+01 -0.257958D+00  0.225517D-01  0.360518D+00
               121           122           123           124           125 
      1  -0.462959D+01  0.458973D+01 -0.156596D+00 -0.259532D+00 -0.208387D+00
      2   0.458973D+01 -0.563542D+01  0.853489D-01 -0.208387D+00  0.275878D+00
      3  -0.156596D+00  0.853489D-01 -0.632901D+00 -0.358613D+00 -0.145947D+00
               126           127           128           129           130 
      1  -0.358613D+00  0.180554D+01  0.285344D+01 -0.384419D+00  0.329692D+01
      2  -0.145947D+00  0.285344D+01  0.213391D+01 -0.425354D+00  0.360075D+01
      3   0.140976D+00 -0.384419D+00 -0.425354D+00  0.443911D+00 -0.536827D+00
               131           132           133           134           135 
      1   0.360075D+01 -0.536827D+00 -0.484260D+00 -0.622276D+00  0.400283D+00
      2   0.762817D+01 -0.958044D+00 -0.622276D+00 -0.100430D+01  0.304694D+00
      3  -0.958044D+00  0.107181D+01  0.400283D+00  0.304694D+00 -0.248121D+00
               136           137           138           139           140 
      1  -0.921459D+00 -0.165194D+01  0.243301D+00 -0.526253D+00 -0.121732D+01
      2  -0.165194D+01 -0.224121D+01  0.378794D+00 -0.121732D+01 -0.929124D+01
      3   0.243301D+00  0.378794D+00 -0.297829D+00  0.108673D+00  0.996649D+00
               141           142           143           144           145 
      1   0.108673D+00  0.179114D+00  0.319284D+00  0.328110D-01  0.118939D+01
      2   0.996649D+00  0.319284D+00  0.117636D+01 -0.339751D+00  0.180702D+01
      3  -0.966788D+00  0.328110D-01 -0.339751D+00  0.181737D+00 -0.270821D+00
               146           147           148           149           150 
      1   0.180702D+01 -0.270821D+00  0.779507D+00  0.175435D+01 -0.145967D+00
      2   0.260549D+01 -0.401985D+00  0.175435D+01  0.105920D+02 -0.104875D+01
      3  -0.401985D+00  0.307458D+00 -0.145967D+00 -0.104875D+01  0.101824D+01
               151           152           153           154           155 
      1   0.138194D+00 -0.437920D+00  0.105147D+00 -0.586245D+01  0.355456D+01
      2  -0.437920D+00 -0.134035D+01  0.342093D+00  0.355456D+01 -0.363464D+01
      3   0.105147D+00  0.342093D+00 -0.205779D+00  0.268753D+00 -0.575712D-01
               156           157           158           159           160 
      1   0.268753D+00  0.373501D+01 -0.464780D+01  0.189173D+00  0.142788D+00
      2  -0.575712D-01 -0.464780D+01  0.635388D+01 -0.338404D-02  0.261725D+00
      3  -0.473617D+00  0.189173D+00 -0.338404D-02  0.746260D+00  0.302961D+00
               161           162           163           164           165 
      1   0.261725D+00  0.302961D+00 -0.253265D+01 -0.244576D+01  0.184123D+00
      2  -0.293621D+00  0.345640D+00 -0.244576D+01 -0.940810D+00  0.187564D+00
      3   0.345640D+00 -0.165355D+00  0.184123D+00  0.187564D+00 -0.452577D+00
               166           167           168           169           170 
      1  -0.311975D+01 -0.284294D+01  0.456875D+00 -0.196326D+00  0.295563D+00
      2  -0.284294D+01 -0.565113D+01  0.727386D+00  0.295563D+00  0.394972D+00
      3   0.456875D+00  0.727386D+00 -0.980921D+00 -0.504752D+00 -0.305001D+00
               171           172           173           174           175 
      1  -0.504752D+00 -0.176706D+01  0.234378D+01  0.208456D+00  0.413713D+01
      2  -0.305001D+00  0.234378D+01 -0.165650D+01 -0.265936D+00 -0.235241D+01
      3   0.601252D-01  0.208456D+00 -0.265936D+00 -0.899245D+00 -0.551263D+00
               176           177           178           179           180 
      1  -0.235241D+01 -0.551263D+00 -0.135019D+00 -0.321417D+00 -0.135892D+01
      2   0.510834D+01  0.429489D+00 -0.321417D+00  0.342700D+00  0.676941D+00
      3   0.429489D+00  0.961896D+00 -0.135892D+01  0.676941D+00  0.341237D+00
               181           182           183           184           185 
      1   0.101696D+02  0.141225D+01 -0.172811D+01 -0.168168D+01 -0.196305D+01
      2   0.141225D+01 -0.134601D+01 -0.525212D+00 -0.196305D+01  0.255194D+01
      3  -0.172811D+01 -0.525212D+00 -0.277982D+01  0.762517D+00 -0.280022D+00
               186           187           188           189           190 
      1   0.762517D+00  0.249553D+01  0.371329D+00 -0.404045D+01  0.375924D+01
      2  -0.280022D+00  0.371329D+00 -0.301840D-01 -0.315682D+01 -0.896837D+00
      3  -0.483314D+01 -0.404045D+01 -0.315682D+01 -0.505222D+00  0.222904D+01
               191           192           193           194           195 
      1  -0.896837D+00  0.222904D+01 -0.330099D+01 -0.505654D+00 -0.191723D+01
      2  -0.262140D+00 -0.976345D+00 -0.505654D+00 -0.113513D+00  0.482490D+00
      3  -0.976345D+00  0.122215D+01 -0.191723D+01  0.482490D+00 -0.389731D+01
               196           197           198           199           200 
      1   0.365040D+01 -0.131983D+01  0.520763D+00  0.143060D+02  0.183174D+01
      2  -0.131983D+01  0.278758D+00 -0.255479D+01  0.183174D+01  0.100677D+01
      3   0.520763D+00 -0.255479D+01  0.887025D+00 -0.129705D+01 -0.188443D+00
               201           202           203           204           205 
      1  -0.129705D+01  0.520179D+01  0.179326D+01 -0.512689D+00 -0.164487D+01
      2  -0.188443D+00  0.179326D+01  0.144161D+01 -0.303542D+00 -0.244096D+00
      3   0.121572D+01 -0.512689D+00 -0.303542D+00  0.300581D+00  0.188794D+01
               206           207           208           209           210 
      1  -0.244096D+00  0.188794D+01 -0.639890D+00 -0.117530D+00 -0.949476D+00
      2  -0.278857D+00 -0.133290D+00 -0.117530D+00 -0.530525D+00 -0.893734D-01
      3  -0.133290D+00 -0.438920D+00 -0.949476D+00 -0.893734D-01 -0.525225D+00
               211           212           213           214           215 
      1  -0.159728D+01  0.192721D+01  0.112310D+01 -0.328312D+01  0.145116D+01
      2   0.192721D+01 -0.381529D+01 -0.259543D+01  0.145116D+01 -0.259136D+01
      3   0.112310D+01 -0.259543D+01 -0.297360D+01  0.213762D+01 -0.307509D+01
               216           217           218           219           220 
      1   0.213762D+01  0.689557D+00 -0.303732D+00  0.150843D+01 -0.128140D+01
      2  -0.307509D+01 -0.303732D+00 -0.102556D+00 -0.442944D+00  0.177830D+01
      3  -0.441307D+01  0.150843D+01 -0.442944D+00  0.107781D+00 -0.125693D+01
               221           222           223           224           225 
      1   0.177830D+01 -0.125693D+01  0.457792D+01 -0.188269D+01  0.274303D+01
      2  -0.248512D+01  0.176177D+01 -0.188269D+01  0.211330D+01 -0.266379D+01
      3   0.176177D+01 -0.239009D+01  0.274303D+01 -0.266379D+01  0.533333D+01
               226           227           228           229           230 
      1   0.768385D-01  0.473640D+00  0.115367D+01  0.140306D+01  0.421976D+00
      2   0.473640D+00  0.582687D+00  0.388039D+00  0.421976D+00  0.111373D+01
      3   0.115367D+01  0.388039D+00  0.233412D+01 -0.321108D+00  0.158607D+01
               231           232           233           234           235 
      1  -0.321108D+00  0.111267D+01  0.166363D+00  0.303958D+00  0.289051D+00
      2   0.158607D+01  0.166363D+00  0.128846D+01  0.178538D+01 -0.769958D+00
      3   0.341833D+01  0.303958D+00  0.178538D+01  0.768134D+01 -0.935133D-01
               236           237           238           239           240 
      1  -0.769958D+00 -0.935133D-01 -0.204080D+01  0.444886D-02  0.379059D+00
      2   0.104448D+01 -0.286150D+00  0.444886D-02 -0.522715D+01  0.111702D+01
      3  -0.286150D+00  0.103785D+01  0.379059D+00  0.111702D+01 -0.140078D+01
               241           242           243           244           245 
      1  -0.643701D+00 -0.196370D+00  0.602174D+00 -0.151004D+02 -0.184329D+01
      2  -0.196370D+00  0.394974D+00 -0.573382D+00 -0.184329D+01 -0.103017D+01
      3   0.602174D+00 -0.573382D+00  0.719772D-01  0.380853D+01  0.576941D+00
               246           247           248           249           250 
      1   0.380853D+01 -0.159836D+01 -0.144103D+01  0.275514D+00  0.134404D+01
      2   0.576941D+00 -0.144103D+01 -0.614787D+00  0.489901D+00  0.185756D+00
      3  -0.232034D+01  0.275514D+00  0.489901D+00  0.270775D+00 -0.164517D+01
               251           252           253           254           255 
      1   0.185756D+00 -0.164517D+01 -0.823898D+01  0.254063D+01 -0.411236D+01
      2  -0.116889D-01  0.524472D-01  0.254063D+01 -0.133774D+01  0.857460D+00
      3   0.524472D-01  0.973464D+00 -0.411236D+01  0.857460D+00 -0.281122D+01
               256           257           258           259           260 
      1   0.627656D+01 -0.204130D+01  0.228885D+01 -0.847895D+01  0.113957D+01
      2  -0.204130D+01  0.389628D+01 -0.243825D+01  0.113957D+01 -0.202953D+01
      3   0.228885D+01 -0.243825D+01  0.335812D+01 -0.551318D+01  0.264920D+01
               261           262           263           264           265 
      1  -0.551318D+01  0.225622D+01 -0.373621D+00  0.109078D+01 -0.364306D+01
      2   0.264920D+01 -0.373621D+00  0.106139D+01  0.118580D+01 -0.425769D+00
      3  -0.762577D+01  0.109078D+01  0.118580D+01  0.173041D+01  0.991713D+00
               266           267           268           269           270 
      1  -0.425769D+00  0.991713D+00  0.219703D+01  0.206689D+01  0.249145D+01
      2  -0.351724D+01  0.702816D+00  0.206689D+01  0.262014D+01  0.154954D+01
      3   0.702816D+00  0.915552D+00  0.249145D+01  0.154954D+01  0.429721D+01
               271           272           273           274           275 
      1  -0.130115D+01 -0.136081D+01 -0.129511D+01 -0.923689D+00 -0.116833D+01
      2  -0.136081D+01 -0.127776D+01 -0.996078D+00 -0.116833D+01 -0.251663D+01
      3  -0.129511D+01 -0.996078D+00 -0.143081D+01 -0.833267D+00 -0.141658D+01
               276           277           278           279 
      1  -0.833267D+00 -0.229882D+01 -0.190112D+01 -0.260881D+01
      2  -0.141658D+01 -0.190112D+01 -0.302117D+01 -0.300684D+01
      3  -0.164746D+01 -0.260881D+01 -0.300684D+01 -0.485696D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.327195D+00  0.460769D+01 -0.254832D+01  0.388691D+01 -0.112773D+01
      2  -0.112678D+02  0.430920D+01  0.233205D+00  0.577594D+01 -0.286190D+01
      3   0.131647D+02  0.142845D+02 -0.178309D+01  0.336472D+02 -0.704750D+00
                 6             7             8             9            10 
      1   0.331785D+01 -0.107026D+01  0.130891D+02 -0.123515D+01 -0.104923D+00
      2  -0.506150D+00  0.287420D+01  0.230812D+01 -0.203275D+01 -0.229873D+01
      3  -0.247344D+01 -0.426251D+01 -0.267040D+01  0.483285D+01 -0.208467D+02
                11            12            13            14            15 
      1   0.327455D+01  0.451570D+01 -0.620936D-01  0.166285D+00 -0.197702D+01
      2   0.748478D+00  0.684407D+01  0.135528D+01 -0.224190D+01 -0.318789D+01
      3   0.272843D+01  0.141500D+00 -0.187687D+02 -0.882196D+01  0.274957D+01
                16            17            18            19            20 
      1   0.112070D+02  0.558577D+01 -0.266431D+01 -0.271325D+01 -0.391606D+01
      2  -0.559433D+01 -0.104252D+02  0.185389D+00  0.802301D+01 -0.557771D+01
      3   0.349915D+01  0.126110D+01 -0.967382D-01 -0.385990D+02 -0.259496D+02
                21            22            23            24            25 
      1   0.120173D+01 -0.831712D+00  0.234055D+01 -0.337123D+01 -0.661765D+01
      2   0.266052D+01 -0.642173D+01  0.518617D+01  0.382666D+01 -0.178086D+02
      3   0.471827D+01  0.119648D+02  0.755104D+01 -0.281424D+01  0.400261D+01
                26            27            28            29            30 
      1   0.326605D+01  0.726162D+00  0.140074D+01  0.462655D+01 -0.963465D+00
      2   0.174435D+02 -0.168854D+01 -0.132802D+02  0.816904D+01 -0.350333D+01
      3  -0.112975D+01 -0.946399D+01  0.309766D+02  0.374576D+02 -0.603374D+01
                31            32            33            34            35 
      1   0.417564D+01  0.254055D+00  0.779094D+00 -0.456770D+01  0.669046D+01
      2  -0.713022D+01 -0.159481D+01  0.126443D+01 -0.167454D+02  0.998236D+00
      3   0.674576D+02 -0.312826D+02 -0.250797D+01 -0.758733D+01 -0.144462D+01
                36            37            38            39            40 
      1  -0.130485D+00 -0.502153D+00  0.308903D+01 -0.561870D+00  0.345686D+01
      2   0.147501D+01  0.119009D+02  0.218710D+01 -0.537112D+00  0.116569D+02
      3   0.581413D+00 -0.166366D+02  0.428644D+02 -0.427117D+01  0.206030D+02
                41            42            43            44            45 
      1  -0.338463D+01 -0.151853D+00 -0.392400D+01  0.881082D+01 -0.755621D+00
      2  -0.499468D+01 -0.121612D+00 -0.206853D+02  0.183626D+01  0.161170D+01
      3  -0.268430D+02  0.118570D+01  0.229176D+01 -0.271783D+01  0.124692D+01
                46            47            48            49            50 
      1   0.193078D+01 -0.505309D+01 -0.386139D+01 -0.106060D+01  0.200995D+01
      2   0.569866D+00 -0.440611D+01 -0.465531D+01 -0.163902D+01  0.177050D+01
      3   0.353782D+02 -0.337662D+02  0.293236D+01 -0.678903D+01  0.298859D+02
                51            52            53            54            55 
      1  -0.221006D+01 -0.761063D+01 -0.231464D+01  0.185975D+01  0.137596D+01
      2  -0.260362D+01 -0.214009D+02 -0.284765D+01  0.393603D+01  0.208962D+01
      3  -0.143702D+01  0.127214D+01  0.213329D+01  0.996331D+01  0.341755D+02
                56            57            58            59            60 
      1  -0.155608D+01 -0.422482D+01 -0.249408D+01  0.148526D+01 -0.336663D+01
      2  -0.563966D+01  0.776848D+00 -0.291260D+01  0.379185D+01 -0.515266D+00
      3  -0.345059D+02  0.181629D+01 -0.623856D+01  0.239691D+02 -0.131894D+01
                61            62            63            64            65 
      1  -0.871903D+01 -0.420521D+01  0.376449D+01  0.226254D+00 -0.187822D+01
      2  -0.172295D+02  0.851240D+00  0.139810D+01 -0.242898D+01  0.159656D+01
      3  -0.119056D+00  0.194288D+01  0.442365D+01 -0.186813D+02  0.621427D+01
                66            67            68            69            70 
      1   0.545154D+01  0.310285D+01 -0.198312D+01 -0.973307D+00  0.145091D+02
      2   0.267704D+01 -0.588274D+01 -0.140193D+00 -0.207089D+01 -0.486973D+01
      3  -0.152041D+01  0.757624D+01  0.102326D+01 -0.142308D+01 -0.206264D+01
                71            72            73            74            75 
      1   0.561129D+01 -0.274051D+01 -0.555667D+01  0.192604D+01 -0.269437D+00
      2  -0.829264D+01  0.219498D+01  0.136171D+02 -0.164733D+01 -0.876037D+00
      3  -0.118571D+01 -0.624968D+01 -0.369665D+02  0.112284D+02  0.811484D+00
                76            77            78            79            80 
      1   0.164903D+01  0.498727D+01  0.284691D+00  0.216045D+01  0.127992D+02
      2   0.288093D+00 -0.630019D+00  0.228227D+01 -0.823373D+01  0.254936D+01
      3   0.326750D+02 -0.117134D+02  0.662554D+00 -0.249375D+01 -0.108691D+01
                81            82            83            84            85 
      1  -0.247974D+01  0.593555D+00 -0.797877D+00  0.105731D+01 -0.145475D+01
      2   0.170200D+01 -0.177170D+02  0.296857D+00  0.132946D+00  0.733926D+01
      3  -0.452896D+01  0.151590D+02 -0.390783D+02  0.401156D+01 -0.959900D+01
                86            87            88            89            90 
      1  -0.840025D+00 -0.101799D+01 -0.398567D+01  0.373805D+01 -0.480099D+00
      2   0.743929D+00  0.165341D+01 -0.188541D+02  0.881820D+01 -0.406949D+00
      3   0.617921D+01 -0.752768D+00  0.421307D+00  0.190779D+01 -0.214812D+01
                91            92            93            94            95 
      1   0.302898D+01  0.189818D+01  0.618463D+00  0.549707D+01 -0.172332D+01
      2  -0.387027D+01  0.678317D+00 -0.810760D+00 -0.416917D+01 -0.402985D+00
      3   0.836783D+01  0.158779D+01  0.890094D+00  0.281633D+02 -0.158077D+02
                96            97            98            99           100 
      1  -0.522681D+01  0.377459D+01  0.231430D+01  0.144501D+01  0.893922D+00
      2  -0.935146D+01 -0.364876D+02 -0.794714D+01 -0.181037D+01  0.471000D+01
      3  -0.273315D+01  0.832654D+01 -0.783410D+00  0.152632D+02 -0.595720D+01
               101           102           103           104           105 
      1  -0.454328D+01  0.285336D+01  0.995341D-01 -0.119369D+01 -0.481201D+01
      2  -0.340216D+01  0.135453D+02 -0.105402D+01 -0.186220D+01 -0.541662D+01
      3  -0.371473D+02  0.208958D+01 -0.239307D+01 -0.830741D+01  0.161123D+01
               106           107           108           109           110 
      1   0.159511D+01 -0.115181D+01  0.972058D-01  0.124866D+01  0.162937D+01
      2  -0.572383D+01  0.267686D+01 -0.948279D+00  0.109794D+01  0.446368D+01
      3   0.779718D+00  0.419697D+01 -0.350977D+01  0.328170D+02  0.447414D+01
               111           112           113           114           115 
      1  -0.117592D+01  0.121808D+01 -0.698327D+00  0.531944D+01 -0.995741D+01
      2  -0.835954D+00  0.577203D+01  0.458449D+01  0.355810D+02 -0.163365D+02
      3  -0.650670D+01  0.194458D+02 -0.251030D+02 -0.650640D+01 -0.604087D+01
               116           117           118           119           120 
      1   0.832152D+01 -0.241366D+01 -0.124188D+01  0.511287D+00  0.170527D+01
      2   0.282013D+02 -0.763000D+01 -0.211310D+01  0.632962D+00  0.178587D+01
      3  -0.479471D+01 -0.287575D+02 -0.369106D+01 -0.426342D+01  0.594278D+00
               121           122           123           124           125 
      1   0.200484D-01 -0.165872D+00 -0.280336D+01 -0.227069D+01  0.101976D+01
      2   0.135161D+00 -0.238240D+00 -0.303534D+01 -0.257665D+01 -0.199531D+00
      3  -0.475410D+01  0.128573D+02 -0.175486D+00  0.148748D+01 -0.912857D+00
               126           127           128           129           130 
      1   0.333010D+00  0.151561D+00  0.253567D+00 -0.145565D+01  0.250963D+00
      2   0.637035D+00 -0.832021D+00 -0.997802D+00  0.178250D+01 -0.972948D+00
      3   0.115779D+01 -0.383044D+01 -0.340274D+01  0.655999D+00 -0.227708D+01
               131           132           133           134           135 
      1  -0.244276D+00 -0.369455D+01 -0.344313D+00  0.160270D+01  0.392496D+00
      2  -0.256670D+01  0.369980D+01 -0.119429D+01  0.150215D+00 -0.496784D+00
      3  -0.185709D+02  0.200067D+01  0.888637D+00  0.211933D+01 -0.571324D-01
               136           137           138           139           140 
      1   0.328088D+00  0.188070D+00 -0.152433D+01 -0.319947D-01 -0.594631D+00
      2   0.100779D+01  0.940296D+00  0.260550D-01  0.631232D+00  0.186972D+01
      3   0.827847D+01  0.581078D+01 -0.124731D+01  0.613141D+01  0.187005D+02
               141           142           143           144           145 
      1  -0.421490D+01  0.757574D+00  0.241955D+01  0.152204D+00  0.983096D+00
      2  -0.501730D+00 -0.168225D+00 -0.237649D+00 -0.142685D-01  0.423079D+00
      3  -0.212707D+01 -0.145210D+01 -0.281576D+01  0.215667D-01  0.576004D+01
               146           147           148           149           150 
      1   0.112343D+01 -0.185482D+01  0.689685D+00  0.264249D+01 -0.521481D+01
      2  -0.899823D-02  0.842169D+00  0.314161D+00 -0.146262D+00  0.126312D+01
      3   0.333174D+01 -0.884200D+00  0.532128D+01  0.379427D+01 -0.589356D+00
               151           152           153           154           155 
      1   0.128828D+01  0.167439D+01  0.412280D+00  0.107885D+00 -0.457049D+00
      2  -0.825893D+00  0.906928D+00 -0.519445D+00 -0.500450D-01 -0.198015D+00
      3  -0.851385D+00 -0.125422D+01 -0.632533D+00 -0.103479D+02  0.161648D+01
               156           157           158           159           160 
      1   0.258330D+01 -0.176276D+01  0.159442D+01 -0.347751D+01 -0.252124D+01
      2   0.179785D+01 -0.822972D+00  0.495902D+00 -0.256618D+01 -0.223969D+01
      3   0.431634D+00  0.365569D+01  0.513851D+00  0.321811D+00  0.132730D+01
               161           162           163           164           165 
      1   0.674163D+00  0.605787D+00 -0.119455D+01 -0.102585D+00 -0.162844D+01
      2  -0.217876D+00  0.284774D+00  0.725119D+00  0.655828D+00  0.408897D+00
      3   0.164602D+00  0.989622D+00  0.279470D+01  0.134202D+01  0.109764D+00
               166           167           168           169           170 
      1  -0.733481D+00 -0.212544D+01 -0.326087D+01 -0.179023D+01  0.179931D+01
      2   0.110385D+01 -0.187120D-01  0.147744D+01 -0.125083D+01 -0.102917D+01
      3   0.442856D+01 -0.458974D+01  0.303881D+00 -0.828551D+00  0.689230D+00
               171           172           173           174           175 
      1   0.267469D-01  0.129999D+01 -0.848319D+00  0.902814D+00 -0.588991D+00
      2   0.670473D+00  0.210777D+00 -0.505618D+00  0.374438D+01  0.357064D-01
      3   0.877471D+00  0.810938D+01 -0.645124D+01 -0.936703D+00 -0.268458D+01
               176           177           178           179           180 
      1   0.311293D+01 -0.230077D+01  0.271346D+00  0.113482D+01  0.456009D+00
      2   0.279168D+00 -0.351365D+01  0.291944D+01 -0.182323D+01 -0.560151D+00
      3   0.188149D+02  0.743753D+00 -0.181932D+01  0.137454D+01  0.149627D+01
               181           182           183           184           185 
      1   0.233053D+01 -0.548121D+01 -0.196316D+01 -0.332750D+01  0.718574D+01
      2  -0.126673D+02 -0.186632D+01  0.170489D+02 -0.384513D+01  0.547385D+01
      3  -0.130074D+01 -0.122554D+02  0.162077D+01 -0.111029D+02  0.147427D+02
               186           187           188           189           190 
      1  -0.539720D+01  0.635142D+00 -0.747831D-01 -0.925551D+01 -0.145193D+00
      2   0.165533D+02  0.126704D+02  0.111530D+02  0.893722D+01  0.933973D+01
      3   0.105202D+01  0.632186D+01 -0.355854D+00 -0.129665D+02 -0.869911D+01
               191           192           193           194           195 
      1  -0.671561D+01 -0.358765D+01 -0.782705D+01  0.201996D+01 -0.118065D+01
      2   0.533131D+01  0.445594D+01  0.159445D+02 -0.466254D+00  0.145257D+02
      3  -0.650380D+01 -0.669287D+01 -0.473013D+01 -0.130778D+01  0.472598D+01
               196           197           198           199           200 
      1   0.747825D+00 -0.675666D+00  0.824887D+00 -0.148798D+01 -0.794277D+00
      2  -0.403613D+01  0.873205D+01 -0.133681D+02 -0.399836D+01 -0.788898D+00
      3  -0.549111D+01  0.158507D+02 -0.112217D+02 -0.210455D+02 -0.108007D+02
               201           202           203           204           205 
      1   0.449182D+00 -0.845463D+00 -0.748597D+00 -0.689353D+00  0.163704D+01
      2   0.905076D+01 -0.184368D+01 -0.130596D+01  0.221280D+01  0.923526D+01
      3   0.226201D+01 -0.132818D+02 -0.102781D+02  0.216626D+01  0.276638D+01
               206           207           208           209           210 
      1   0.335366D+00 -0.128343D+00  0.269436D+00  0.108011D+00 -0.110860D+01
      2  -0.802875D+00 -0.217579D+01 -0.678285D+01 -0.843242D+00 -0.269179D+01
      3   0.218977D+01  0.165455D-01  0.274196D+01  0.267420D+01  0.174683D+01
               211           212           213           214           215 
      1   0.330973D+00  0.300695D+00 -0.324622D+01  0.170255D+01  0.125091D+00
      2   0.403478D+01 -0.136203D+02 -0.170210D+02  0.812691D+01 -0.174730D+02
      3  -0.846952D+01  0.260498D+02  0.152502D+02 -0.545728D+01  0.166581D+02
               216           217           218           219           220 
      1  -0.414319D+01  0.634248D+00 -0.261945D+00 -0.625351D-01 -0.134598D+01
      2  -0.242595D+02  0.978732D+01 -0.261330D+01  0.108846D+01 -0.624017D+01
      3   0.185831D+02  0.271204D+01 -0.321864D+00  0.140244D+01 -0.846618D+01
               221           222           223           224           225 
      1   0.182245D+01 -0.367552D+01  0.357142D+01 -0.930104D+00  0.690371D+01
      2   0.102592D+02 -0.145596D+02  0.125445D+02 -0.161974D+02  0.315208D+02
      3   0.177965D+02 -0.105879D+02  0.752459D+01 -0.141137D+02  0.162807D+02
               226           227           228           229           230 
      1   0.148345D+01  0.260227D+01  0.123917D+01  0.188674D+01  0.388712D+01
      2  -0.623475D+01 -0.231618D+01 -0.960135D+01 -0.220883D+01 -0.659923D+01
      3   0.153220D+01  0.206239D+01  0.129251D+00  0.324685D+01  0.349247D+01
               231           232           233           234           235 
      1   0.325622D+01  0.710848D+00  0.574273D+01  0.696346D+01 -0.316489D+01
      2  -0.117367D+02 -0.573223D+01 -0.742875D+01 -0.283836D+02 -0.168473D+01
      3   0.457092D+01 -0.151508D+00  0.382390D+01  0.473771D+01 -0.742203D+01
               236           237           238           239           240 
      1   0.280216D+01  0.106735D+01  0.136069D+01 -0.117183D+02 -0.131834D+01
      2   0.277123D+01 -0.279710D+01  0.259664D+01 -0.576982D+01  0.408465D+01
      3   0.559019D+01 -0.633492D+00  0.480040D+01 -0.216737D+02  0.378534D+01
               241           242           243           244           245 
      1   0.498926D+00  0.684584D+00 -0.211807D+01 -0.186318D+01 -0.263758D+01
      2  -0.186384D+01  0.200016D+01 -0.141735D+01  0.118651D+02  0.449622D+00
      3   0.855174D+00  0.101307D+01 -0.308314D+01 -0.165117D+01 -0.675330D+01
               246           247           248           249           250 
      1  -0.325665D+00 -0.251463D+01 -0.167624D+01  0.721488D-01 -0.411831D+00
      2   0.582533D+01  0.140017D+01  0.100077D+00 -0.119111D+01  0.246467D+01
      3   0.152445D+01 -0.388362D+01 -0.338119D+01  0.151625D+01 -0.764782D+00
               251           252           253           254           255 
      1   0.891306D+00  0.729101D+00 -0.417325D+01  0.505614D+01  0.241259D+01
      2  -0.610359D+00 -0.116093D+01  0.801169D+01 -0.256353D+01  0.110702D+02
      3   0.108603D+01  0.778939D+00  0.913687D+01 -0.965931D+01  0.445812D+01
               256           257           258           259           260 
      1   0.433871D+01 -0.616661D+01 -0.123953D+01 -0.119045D+01  0.897672D+01
      2  -0.129934D+02  0.768711D+01 -0.128524D+02  0.170985D+02 -0.937699D+01
      3  -0.145422D+01  0.186152D+02 -0.971344D+01 -0.343344D+01 -0.171024D+02
               261           262           263           264           265 
      1  -0.765047D+00  0.463033D+01  0.145986D+01  0.265078D+01 -0.204813D+01
      2   0.327916D+02 -0.539640D+01 -0.578286D+01 -0.390618D+01 -0.211971D+01
      3   0.882237D+01 -0.272985D+01  0.219869D+01  0.320595D+01  0.143835D+01
               266           267           268           269           270 
      1   0.395700D+01 -0.574316D+01  0.257767D+01  0.233675D+01  0.701471D+01
      2  -0.153147D+01 -0.309385D+01 -0.839084D+01 -0.440378D+01 -0.136751D+02
      3  -0.172106D+02  0.265978D+01  0.530107D+01  0.607314D+01  0.234793D+01
               271           272           273           274           275 
      1  -0.442335D+00 -0.113041D+00 -0.159250D+01 -0.101781D+01 -0.785914D+00
      2   0.322684D+01  0.333782D+01  0.450686D+01  0.187261D+01  0.474970D+01
      3  -0.331033D+01 -0.397997D+01 -0.244523D+01 -0.186014D+01 -0.778416D+01
               276           277           278           279 
      1  -0.255480D+01 -0.205299D+01 -0.918523D+00 -0.599499D+01
      2   0.542031D+01  0.651136D+01  0.100817D+02  0.172146D+02
      3  -0.415745D+01 -0.425008D+01 -0.101163D+02 -0.970556D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.154904D+03 -0.396362D+02 -0.711949D+01  0.105412D+02 -0.328683D+02
      2  -0.854297D+02  0.244979D+02  0.239808D+01 -0.135239D+02  0.330876D+02
      3  -0.694741D+02  0.151383D+02  0.472140D+01  0.298274D+01 -0.219353D+00
      4  -0.177581D+02  0.312928D+02 -0.149161D+01 -0.303388D+02 -0.630401D+02
      5  -0.153222D+01 -0.974597D+00  0.267909D+01  0.699870D+01  0.672899D+01
      6   0.115256D+00  0.116045D+01  0.393568D+01  0.591959D+01 -0.344049D+01
                 6             7             8             9            10 
      1   0.450680D+01 -0.593961D+01  0.853165D+01  0.250204D+02  0.293013D+01
      2  -0.505738D+01  0.519170D+01 -0.719054D+01 -0.233312D+02 -0.194488D+01
      3   0.550587D+00  0.747914D+00 -0.134111D+01 -0.168916D+01 -0.985251D+00
      4   0.919374D+01  0.987559D+01  0.248016D+01 -0.294167D+01  0.358774D+02
      5  -0.125685D+01  0.487148D+02 -0.880898D+01 -0.363566D+01  0.300942D+01
      6  -0.398549D+01  0.234046D+00  0.329645D+01  0.178364D+01 -0.542492D+01
                11            12            13            14            15 
      1   0.604067D+02 -0.468241D+01 -0.771545D+02  0.365502D+02  0.184930D+01
      2  -0.409764D+02  0.137932D+01  0.532005D+02 -0.302388D+02 -0.105275D+01
      3  -0.194303D+02  0.330309D+01  0.239541D+02 -0.631142D+01 -0.796547D+00
      4   0.342055D+02 -0.799064D+01  0.331369D+02  0.303191D+02 -0.850141D+01
      5  -0.913122D+01  0.146706D+02  0.391287D+01 -0.712623D+01 -0.841332D+01
      6   0.321319D+01 -0.829900D+01 -0.610870D+01  0.284649D+01  0.474151D+01
                16            17            18            19            20 
      1   0.119198D+02 -0.123017D+02  0.102115D+01 -0.114149D+03  0.946378D+01
      2  -0.107959D+02  0.953853D+01 -0.683617D+01  0.526153D+02 -0.128071D+01
      3  -0.112391D+01  0.276319D+01  0.581503D+01  0.615337D+02 -0.818307D+01
      4  -0.738643D+01 -0.900514D+01 -0.147453D+02  0.116259D+02 -0.371721D+02
      5   0.258160D+02 -0.158202D+02  0.235066D+01  0.724904D+01  0.707561D+01
      6  -0.158168D+02  0.101098D+02  0.259642D+01  0.535569D+01  0.763186D+00
                21            22            23            24            25 
      1   0.721772D+01  0.896085D+02 -0.118939D+02 -0.713654D+01  0.124493D+01
      2  -0.375961D+01 -0.563909D+02 -0.488573D+01  0.604879D+01  0.142397D+01
      3  -0.345811D+01 -0.332177D+02  0.167796D+02  0.108776D+01 -0.266890D+01
      4   0.614981D+01 -0.937043D+01  0.234992D+02  0.205685D+01  0.329023D+01
      5   0.293916D+01 -0.360379D+01  0.291391D+01  0.927951D+01  0.343143D+01
      6  -0.932566D+00  0.156449D+01  0.546233D+01  0.477035D+01  0.319211D+01
                26            27            28            29            30 
      1   0.247250D+01 -0.172194D+02  0.898323D+02  0.936184D+00 -0.900904D+01
      2   0.256258D+01  0.187054D+01 -0.392342D+02 -0.384169D+01  0.340579D+01
      3  -0.503509D+01  0.153488D+02 -0.505981D+02  0.290550D+01  0.560325D+01
      4   0.836859D+01  0.233203D+02 -0.104259D+02  0.853208D+01 -0.575575D+00
      5   0.246891D+02 -0.316064D+01 -0.544067D+01 -0.259070D+01 -0.643063D+01
      6   0.150180D+02 -0.150775D+01 -0.389411D+01  0.146323D+01  0.180339D+01
                31            32            33            34            35 
      1   0.929383D+02 -0.371558D+02 -0.528525D+01 -0.191670D+02  0.284285D+01
      2  -0.446440D+02  0.310186D+02  0.736175D+00  0.834802D+01 -0.262729D+01
      3  -0.482942D+02  0.613714D+01  0.454908D+01  0.108190D+02 -0.215563D+00
      4  -0.190109D+02  0.139745D+02  0.472521D-01  0.311460D+01 -0.127991D+01
      5   0.430611D+01 -0.190001D+01  0.944223D+00  0.133412D+01  0.244998D+01
      6  -0.267396D+01  0.836359D+00 -0.161372D+01  0.345141D+01  0.360512D+01
                36            37            38            39            40 
      1  -0.621263D+01 -0.899786D+02  0.552901D+02  0.439841D+00 -0.871604D+02
      2  -0.261284D+01  0.495844D+02 -0.370612D+02 -0.103539D+01  0.469690D+02
      3   0.882548D+01  0.403942D+02 -0.182290D+02  0.595553D+00  0.401913D+02
      4   0.260253D+01  0.540079D+02 -0.203102D+01 -0.353292D+01 -0.868435D+01
      5   0.233367D+01 -0.122414D+01 -0.231562D+01  0.214864D+00 -0.161855D+01
      6   0.142006D+01 -0.209964D+01 -0.109789D+01  0.125821D+01  0.410181D+01
                41            42            43            44            45 
      1  -0.190467D+01  0.675835D+01  0.153516D+02 -0.689513D+01 -0.124046D+02
      2   0.487530D+01 -0.494550D+01 -0.798743D+01  0.374954D+01 -0.399211D+00
      3  -0.297063D+01 -0.181285D+01 -0.736421D+01  0.314559D+01  0.128038D+02
      4  -0.569145D+01  0.154835D+01 -0.459582D+01  0.112904D+01  0.767062D+00
      5   0.300487D+01  0.370837D+00 -0.973899D+00 -0.162556D+01  0.196656D+01
      6  -0.330967D+01 -0.504047D+00  0.190574D+01  0.215453D+01  0.326554D+00
                46            47            48            49            50 
      1  -0.639762D+00 -0.559464D+02  0.274489D+01  0.176566D+01  0.269776D+02
      2  -0.440121D+01  0.373873D+02 -0.586217D+00 -0.535128D+01 -0.261196D+02
      3   0.504097D+01  0.185592D+02 -0.215867D+01  0.358562D+01 -0.857986D+00
      4  -0.412078D+02 -0.305899D+02  0.552164D+01  0.318339D+02 -0.144307D+02
      5  -0.917774D+00  0.611129D+01 -0.105473D+02 -0.196482D+01 -0.955763D+00
      6   0.540334D+01  0.181619D+01  0.656467D+01 -0.516261D-01  0.568795D+01
                51            52            53            54            55 
      1  -0.525070D+01 -0.219495D+01 -0.339035D+00 -0.201951D+02  0.171879D+02
      2   0.536179D+01  0.271639D+01  0.512120D+01  0.597490D+01 -0.125197D+02
      3  -0.111092D+00 -0.521443D+00 -0.478216D+01  0.142202D+02 -0.466813D+01
      4  -0.171605D+01 -0.623964D-01  0.436374D+01 -0.975404D+01  0.139201D+01
      5  -0.294466D+01  0.107708D+01 -0.116794D+02  0.629238D+01  0.684526D+01
      6   0.525035D+01  0.199822D+01  0.194393D+02 -0.404385D+01  0.191131D+01
                56            57            58            59            60 
      1  -0.526993D+02 -0.256513D+00  0.119564D+02  0.679001D+01 -0.402856D+01
      2   0.452829D+02 -0.322669D-01 -0.122379D+02 -0.161326D+02  0.499951D+01
      3   0.741645D+01  0.288780D+00  0.281478D+00  0.934259D+01 -0.970955D+00
      4  -0.757094D+01  0.136581D+01  0.452296D+01 -0.106443D+02  0.195728D+01
      5   0.416827D+01 -0.844018D+00 -0.211369D+01  0.147637D+01  0.135601D+01
      6   0.607884D+01  0.759344D+01  0.113805D+01  0.720451D+01  0.759731D+01
                61            62            63            64            65 
      1  -0.534934D+01  0.509271D+00 -0.228583D+02 -0.840270D+01  0.692623D+02
      2   0.553217D+01  0.317858D+01  0.130779D+02  0.819558D+00 -0.589048D+02
      3  -0.182835D+00 -0.368785D+01  0.978038D+01  0.758314D+01 -0.103575D+02
      4   0.107857D+01  0.543339D+01  0.589967D+01  0.101295D+02 -0.148290D+02
      5   0.431195D+01  0.104473D+01  0.199158D+01 -0.830192D+00 -0.502120D+01
      6   0.631085D+01  0.249492D+02 -0.412272D+01 -0.359291D+01 -0.544613D+00
                66            67            68            69            70 
      1  -0.457875D+01 -0.244224D+02  0.381588D+02 -0.578800D+01  0.981251D+01
      2   0.376480D+01  0.264318D+02 -0.415730D+02  0.310391D+01 -0.811169D+01
      3   0.813945D+00 -0.200941D+01  0.341418D+01  0.268409D+01 -0.170082D+01
      4  -0.299830D+00  0.125121D+02  0.127323D+02 -0.338779D+01 -0.421544D+01
      5   0.641104D+01  0.172952D+01 -0.583343D+01 -0.607831D+01  0.229695D+02
      6  -0.924751D+01 -0.702479D+01  0.112227D+01  0.468043D+01 -0.202943D+02
                71            72            73            74            75 
      1  -0.163608D+02 -0.125370D+02 -0.730488D+01  0.589754D+01  0.822398D+00
      2   0.136927D+02  0.272917D+01 -0.639362D+01 -0.898320D+01  0.228484D+01
      3   0.266803D+01  0.980779D+01  0.136985D+02  0.308566D+01 -0.310724D+01
      4  -0.103781D+01 -0.103228D+02  0.156973D+02  0.988427D+01 -0.219845D+01
      5  -0.719378D+01  0.489915D-01 -0.749332D+01 -0.145797D+01  0.286964D+01
      6   0.142132D+02  0.634493D+01  0.185878D+01 -0.253803D+01 -0.229661D+01
                76            77            78            79            80 
      1   0.313317D+02 -0.729195D+02  0.448896D+01  0.106251D+02  0.579090D+01
      2  -0.212052D+02  0.713872D+02 -0.608917D+01 -0.180588D+01 -0.703433D+01
      3  -0.101265D+02  0.153228D+01  0.160021D+01 -0.881925D+01  0.124343D+01
      4  -0.404998D+02 -0.375543D+01  0.214627D+01  0.640953D+01 -0.200886D+01
      5   0.592013D+01  0.419629D+01  0.327995D+01  0.286291D+02 -0.222081D+01
      6   0.428345D+01  0.261685D+01 -0.281870D+01 -0.652836D+01  0.420067D+01
                81            82            83            84            85 
      1  -0.330238D+01  0.579373D+02 -0.599211D+02 -0.654004D+00  0.691569D+01
      2  -0.790478D+01 -0.337400D+02  0.468701D+02 -0.197059D+01 -0.163491D+02
      3   0.112072D+02 -0.241974D+02  0.130510D+02  0.262459D+01  0.943344D+01
      4   0.381951D+01 -0.492733D+02 -0.233514D+00  0.426243D+01  0.218716D+02
      5  -0.368691D+01  0.485455D+01  0.402984D+01 -0.363911D+01 -0.267226D+01
      6   0.246607D+01  0.251424D+01  0.307896D+01 -0.188369D+00  0.153575D+01
                86            87            88            89            90 
      1   0.311055D+02 -0.112024D+01 -0.601703D+01  0.625222D+01 -0.862085D+01
      2  -0.349021D+02  0.469178D+01  0.319004D+01  0.485934D+00 -0.622987D+01
      3   0.379663D+01 -0.357154D+01  0.282699D+01 -0.673816D+01  0.148507D+02
      4  -0.430980D+01 -0.130309D+00  0.525543D+01  0.185793D+01  0.337648D+01
      5   0.414483D+00  0.557457D+01  0.266455D+01  0.910726D+01 -0.944370D+00
      6   0.110436D+01  0.292455D+01  0.205099D+01  0.705601D+01 -0.224445D+01
                91            92            93            94            95 
      1   0.216836D+02  0.100092D+02 -0.404686D+01  0.587004D+00 -0.124057D+02
      2  -0.148532D+02 -0.415179D+01 -0.436464D+01  0.940176D+01  0.203557D+01
      3  -0.683036D+01 -0.585742D+01  0.841150D+01 -0.998877D+01  0.103701D+02
      4  -0.691750D+00 -0.154195D+02 -0.264771D+01 -0.291510D+02  0.314866D+02
      5   0.327570D+01 -0.282877D+01 -0.112784D+02  0.457973D+01  0.582965D+01
      6  -0.396263D+01  0.330905D+01 -0.287874D+01  0.524966D+01 -0.541501D+01
                96            97            98            99           100 
      1  -0.461685D+01 -0.143899D+02 -0.353394D+01 -0.126456D+02 -0.100090D+02
      2  -0.583677D+01  0.242060D+01 -0.351189D+00  0.897104D+01  0.274837D+01
      3   0.104536D+02  0.119693D+02  0.388513D+01  0.367459D+01  0.726065D+01
      4   0.459319D+01 -0.311375D+01  0.633750D+00 -0.229658D+02  0.285724D+02
      5  -0.231227D+02 -0.500887D+02 -0.181604D+02  0.966815D+01 -0.899780D+00
      6  -0.376746D+01 -0.851887D+01 -0.377186D+01  0.347530D+01 -0.253274D+00
               101           102           103           104           105 
      1   0.358829D+02  0.223141D+01  0.583053D+01  0.996579D+01 -0.336456D+01
      2  -0.215043D+02  0.699647D+00  0.173609D+00 -0.385578D+01  0.235327D+01
      3  -0.143787D+02 -0.293106D+01 -0.600414D+01 -0.611001D+01  0.101129D+01
      4   0.544962D+01 -0.992917D-01  0.321652D+02  0.152874D+02 -0.391093D+01
      5  -0.176024D+00  0.262122D+02 -0.466977D+01 -0.245443D+01 -0.953176D+01
      6  -0.187990D+01 -0.504561D+01 -0.151823D+01  0.329372D-01  0.842569D+01
               106           107           108           109           110 
      1   0.195742D+01 -0.365547D+01  0.705121D+00 -0.737058D+02 -0.419159D+02
      2   0.576917D+00  0.301244D+01 -0.130181D+01  0.437606D+02  0.216532D+02
      3  -0.253434D+01  0.643027D+00  0.596686D+00  0.299452D+02  0.202627D+02
      4  -0.419437D+01 -0.656109D+00  0.704415D+01 -0.403596D+02  0.707062D+01
      5   0.100698D+02  0.554239D+01 -0.423988D+01  0.979463D+01  0.877963D+01
      6   0.295670D+01  0.398944D+01 -0.128489D+01  0.232764D+01 -0.152848D+01
               111           112           113           114           115 
      1   0.996673D+01 -0.537239D+02  0.415780D+01  0.181021D+02  0.976629D+01
      2  -0.604616D+01  0.266533D+02 -0.309144D+01 -0.869947D+01 -0.498437D+01
      3  -0.392057D+01  0.270706D+02 -0.106636D+01 -0.940261D+01 -0.478192D+01
      4   0.794761D+01 -0.199688D+02  0.253395D+02  0.923914D+01  0.102437D+02
      5  -0.816157D+01  0.136770D+02  0.887465D+01  0.683174D+02 -0.242378D+02
      6   0.162109D+01  0.529412D+00 -0.489157D+01 -0.194192D+02  0.985783D+01
               116           117           118           119           120 
      1   0.138418D+02  0.108820D+01  0.364145D+02 -0.140741D+02 -0.162755D+01
      2  -0.709925D+01 -0.300808D+01 -0.121070D+02  0.176290D+00  0.800283D+00
      3  -0.674260D+01  0.191987D+01 -0.243075D+02  0.138978D+02  0.827268D+00
      4   0.547299D+01  0.472377D+02 -0.325278D+02  0.262485D+02  0.235199D+00
      5   0.501889D+02 -0.158206D+02 -0.104071D+00 -0.977768D+00  0.351956D+01
      6  -0.152144D+02  0.108184D+00  0.325078D+00  0.103472D+00 -0.206625D+01
               121           122           123           124           125 
      1  -0.172882D+02  0.607208D+01  0.589883D-02 -0.239433D+01  0.383489D+00
      2  -0.335101D+01  0.146477D+02  0.818420D-01  0.206854D+01 -0.100725D+01
      3   0.206392D+02 -0.207198D+02 -0.877408D-01  0.325787D+00  0.623762D+00
      4   0.386189D+02 -0.436651D+02  0.653283D+00 -0.105777D+01  0.172648D+01
      5  -0.264846D+01  0.284154D+01 -0.526961D+01 -0.120638D+01 -0.185002D+01
      6   0.130441D+01 -0.128708D+01  0.454186D+01  0.441965D+00  0.186288D+01
               126           127           128           129           130 
      1  -0.117265D+01  0.391885D+01  0.829414D+01 -0.675981D+00  0.513602D+01
      2   0.148183D+01  0.351040D+01  0.128511D+01  0.364548D-01  0.743422D+01
      3  -0.309182D+00 -0.742925D+01 -0.957925D+01  0.639526D+00 -0.125702D+02
      4  -0.246590D+01  0.234948D+02  0.227121D+02 -0.362486D+01  0.300259D+02
      5   0.716221D+00 -0.215828D+01 -0.257149D+01  0.372035D+01 -0.277832D+01
      6  -0.528224D+00 -0.160904D+01 -0.191445D+01  0.227956D+01 -0.239397D+01
               131           132           133           134           135 
      1  -0.111078D+02  0.138690D+01 -0.411038D+00  0.271650D+00 -0.899646D+00
      2   0.281682D+02 -0.217409D+01 -0.475191D+00 -0.215448D+01  0.258997D+01
      3  -0.170604D+02  0.787195D+00  0.886228D+00  0.188283D+01 -0.169033D+01
      4   0.528751D+02 -0.639991D+01 -0.474567D+01 -0.725588D+01  0.340910D+01
      5  -0.399386D+01  0.666563D+01  0.311082D+01  0.160554D+01 -0.167124D+01
      6  -0.526596D+01  0.681074D+01  0.329988D+01  0.348160D+01 -0.198201D+01
               136           137           138           139           140 
      1  -0.727731D+01 -0.150406D+02  0.246051D+01 -0.729976D+01 -0.464532D+02
      2   0.752800D+01  0.144569D+02 -0.164352D+01  0.723605D+01  0.560604D+02
      3  -0.250684D+00  0.583751D+00 -0.816985D+00  0.637109D-01 -0.960718D+01
      4  -0.330825D+00  0.507407D+01 -0.641126D-01  0.269637D+01 -0.134571D+02
      5   0.464898D+00  0.381031D+00  0.717773D+00  0.106634D+00  0.382611D+01
      6  -0.136526D+01 -0.272939D+01  0.224932D+01 -0.968903D+00 -0.890222D+01
               141           142           143           144           145 
      1   0.541492D+01  0.165927D+01  0.652800D+01 -0.255957D+01 -0.580927D+01
      2  -0.478933D+01 -0.126685D+01 -0.638307D+01  0.294340D+01  0.960138D+01
      3  -0.625588D+00 -0.392416D+00 -0.144930D+00 -0.383830D+00 -0.379211D+01
      4   0.178911D+01  0.158094D+00  0.128824D+01  0.140791D+01  0.785777D+01
      5  -0.207587D+01  0.127380D+01  0.264272D+00 -0.139739D+00  0.149736D+00
      6   0.755175D+01  0.272024D+00  0.402051D+01 -0.195199D+01 -0.100388D+01
               146           147           148           149           150 
      1  -0.102744D+02  0.187245D+01 -0.768698D+01 -0.521863D+02  0.546149D+01
      2   0.157774D+02 -0.191742D+01  0.109520D+02  0.742136D+02 -0.636648D+01
      3  -0.550305D+01  0.449651D-01 -0.326504D+01 -0.220273D+02  0.904994D+00
      4   0.158591D+02 -0.154922D+01  0.943736D+01  0.207925D+02 -0.168769D+01
      5  -0.945329D-01  0.205708D+01 -0.209110D+00  0.115461D+01  0.128134D+01
      6  -0.202917D+01  0.273076D+01 -0.832285D+00 -0.556968D+01  0.860727D+01
               151           152           153           154           155 
      1   0.132857D+01  0.686781D+01 -0.244824D+01  0.232348D+01  0.529271D+01
      2  -0.183049D+01 -0.854962D+01  0.338039D+01  0.101467D+02 -0.157684D+02
      3   0.501914D+00  0.168182D+01 -0.932152D+00 -0.124702D+02  0.104757D+02
      4  -0.121583D+01 -0.331226D+01  0.237940D+01 -0.286216D+02  0.249295D+02
      5   0.137405D+00  0.204089D+01 -0.938156D+00 -0.150475D+01  0.323619D+00
      6  -0.292862D+00  0.442682D+01 -0.210288D+01  0.241851D+01 -0.202005D+01
               156           157           158           159           160 
      1   0.856418D-01  0.954734D+01 -0.198645D+02 -0.107034D+00 -0.168555D+01
      2   0.737487D-01 -0.222420D+02  0.366913D+02  0.683418D-01  0.188763D+01
      3  -0.159391D+00  0.126947D+02 -0.168267D+02  0.386925D-01 -0.202075D+00
      4   0.471836D+00  0.278366D+02 -0.341846D+02  0.228182D+00 -0.262086D+00
      5   0.344537D+01 -0.693988D+00  0.291108D+00 -0.363836D+01  0.410898D+00
      6  -0.356428D+01 -0.904723D+00  0.228869D+01  0.573149D+01  0.106814D+01
               161           162           163           164           165 
      1   0.138741D+01 -0.355150D+00  0.508377D+01  0.899816D+00  0.485579D+00
      2  -0.198289D+01  0.185900D+01 -0.233283D+01  0.230710D+00  0.178152D+00
      3   0.595482D+00 -0.150385D+01 -0.275095D+01 -0.113053D+01 -0.663731D+00
      4   0.110800D+01 -0.261496D+01  0.805113D+01  0.844288D+01 -0.691100D+00
      5  -0.231701D+01  0.364505D+00 -0.453135D+00 -0.115824D+01  0.301815D+01
      6   0.318760D+01 -0.632556D+00 -0.113243D+01 -0.107963D+01  0.129807D+01
               166           167           168           169           170 
      1  -0.306406D+01 -0.158518D+02  0.258316D+01  0.169522D+01  0.148847D+01
      2   0.504538D+01  0.189911D+02 -0.113078D+01 -0.793068D+00 -0.132184D+01
      3  -0.198132D+01 -0.313933D+01 -0.145238D+01 -0.902155D+00 -0.166631D+00
      4   0.117120D+02  0.164713D+02 -0.187573D+01 -0.385753D+00 -0.158291D+01
      5  -0.196656D+01 -0.139975D+01  0.325536D+01  0.375769D+01  0.841817D+00
      6  -0.268000D+01 -0.604372D+01  0.534298D+01  0.255233D+01  0.265901D+01
               171           172           173           174           175 
      1  -0.161724D+01  0.149605D+02 -0.132983D+02 -0.761706D+00 -0.176988D+02
      2   0.214697D+01 -0.259984D+01  0.389180D+01  0.840792D+00  0.498251D+01
      3  -0.529725D+00 -0.123607D+02  0.940655D+01 -0.790862D-01  0.127163D+02
      4   0.213107D+01 -0.230878D+02  0.190415D+02  0.270441D+01  0.245980D+02
      5   0.146802D+00 -0.389761D+01  0.363595D+01  0.812095D+01  0.609108D+01
      6  -0.105989D+01  0.426759D+01 -0.286072D+01 -0.638984D+00 -0.388926D+01
               176           177           178           179           180 
      1   0.567492D+01  0.633811D+00  0.243413D+00  0.106774D+01  0.369568D+01
      2   0.973104D+01  0.104331D+00  0.101098D+01 -0.129041D+01 -0.166736D+01
      3  -0.154060D+02 -0.738142D+00 -0.125439D+01  0.222675D+00 -0.202832D+01
      4  -0.420508D+02 -0.391324D+01  0.370629D+01 -0.312855D+01 -0.599602D+01
      5  -0.499622D+01 -0.771016D+01  0.116170D+02 -0.533828D+01 -0.312119D+01
      6   0.850557D+01  0.421003D+01 -0.213652D+01  0.547716D+01  0.218043D+01
               181           182           183           184           185 
      1  -0.839700D+02 -0.146137D+02  0.295068D+02 -0.913887D+01  0.221603D+02
      2   0.456029D+02  0.135233D+02 -0.419765D+01  0.391825D+01 -0.160231D+02
      3   0.383672D+02  0.109038D+01 -0.253092D+02  0.522062D+01 -0.613718D+01
      4  -0.170686D+02  0.122998D+02  0.602406D+01  0.176441D+02 -0.175331D+02
      5   0.399982D+02  0.791123D+01  0.115589D+02 -0.189060D+01 -0.531509D+01
      6   0.386287D+01 -0.787966D+01 -0.921729D+00 -0.891936D+01  0.102790D+02
               186           187           188           189           190 
      1   0.154784D+02  0.117407D+02  0.121879D+02  0.232628D+02 -0.189140D+02
      2   0.931347D+01  0.676228D+01  0.468306D+01 -0.173310D+01  0.197045D+02
      3  -0.247919D+02 -0.185030D+02 -0.168709D+02 -0.215297D+02 -0.790496D+00
      4   0.865474D+00 -0.487001D+01  0.147487D+01  0.259642D+02  0.152650D+02
      5   0.313673D+02  0.273135D+02  0.198789D+02 -0.748971D+01 -0.277662D+02
      6   0.179511D+01  0.527047D+01  0.126596D+01 -0.168386D+02  0.494161D+01
               191           192           193           194           195 
      1   0.674706D+01 -0.103505D+02  0.228232D+02  0.208473D+01  0.113514D+02
      2  -0.473390D+01  0.152108D+02 -0.250533D+02 -0.597421D+01 -0.158827D+02
      3  -0.201317D+01 -0.486034D+01  0.223005D+01  0.388948D+01  0.453127D+01
      4  -0.103235D+01  0.811472D+01  0.102059D+01 -0.428154D+01 -0.221735D+01
      5   0.875752D+01 -0.132405D+02  0.202163D+02 -0.453429D+01  0.334916D+02
      6  -0.557727D+01  0.559035D+01  0.781669D+00  0.100921D+01 -0.333192D+01
               196           197           198           199           200 
      1  -0.300051D+02  0.970816D+01 -0.545137D+01  0.190243D+03  0.226558D+02
      2   0.236777D+02 -0.974812D+01  0.167091D+02 -0.101297D+03 -0.126672D+02
      3   0.632742D+01  0.399584D-01 -0.112577D+02 -0.889465D+02 -0.998866D+01
      4   0.173597D+02 -0.196695D+02  0.249103D+02  0.217589D+02  0.162710D+02
      5  -0.157922D+02  0.232996D+02 -0.205903D+02 -0.201370D+02 -0.258150D+01
      6   0.863123D+01 -0.675122D+01  0.102290D+02 -0.259445D+00 -0.709278D+00
               201           202           203           204           205 
      1  -0.159496D+02  0.613426D+02  0.225668D+02 -0.603316D+01 -0.194189D+02
      2   0.962455D+01 -0.331455D+02 -0.117128D+02  0.379508D+01  0.120492D+02
      3   0.632502D+01 -0.281971D+02 -0.108539D+02  0.223807D+01  0.736970D+01
      4  -0.219766D+01  0.267534D+02  0.184051D+02 -0.383933D+01 -0.295038D+01
      5   0.186250D+02 -0.704959D+01 -0.406005D+01  0.482073D+01  0.270666D+02
      6  -0.494179D+00 -0.121298D+01 -0.704119D+00  0.191764D+01 -0.397646D+00
               206           207           208           209           210 
      1  -0.336609D+01  0.192067D+02  0.103175D+00 -0.562042D+01 -0.140308D+02
      2   0.218180D+01 -0.114259D+02 -0.389366D+00  0.309842D+01  0.620863D+01
      3   0.118430D+01 -0.778078D+01  0.286191D+00  0.252201D+01  0.782217D+01
      4  -0.338403D+01 -0.543569D+00 -0.274086D+01 -0.106772D+01  0.180034D+01
      5  -0.593388D+00 -0.612814D+01 -0.115636D+02  0.962605D+00 -0.230625D+01
      6   0.259727D+01 -0.572810D-01  0.310206D+01  0.875340D+00  0.191263D+01
               211           212           213           214           215 
      1  -0.137345D+02  0.285245D+00 -0.202024D+01 -0.290430D+02  0.508010D+00
      2   0.537317D+01  0.615626D+01  0.263441D+01  0.158395D+02  0.329278D+00
      3   0.836134D+01 -0.644150D+01 -0.614171D+00  0.132036D+02 -0.837287D+00
      4   0.257801D+02 -0.423600D+02 -0.273490D+02  0.183273D+02 -0.276637D+02
      5   0.139813D+02 -0.275246D+02 -0.334426D+02  0.267199D+02 -0.330939D+02
      6  -0.638596D+01  0.134476D+02  0.137443D+02 -0.855036D+01  0.138495D+02
               216           217           218           219           220 
      1  -0.184361D+01  0.152459D+02 -0.576460D+01  0.155943D+02 -0.125060D+02
      2  -0.480223D+01 -0.779021D+01  0.260601D+01 -0.735299D+01  0.420006D+01
      3   0.664584D+01 -0.745565D+01  0.315859D+01 -0.824132D+01  0.830594D+01
      4  -0.311468D+02 -0.638024D+01  0.292508D+01 -0.709896D+01  0.242050D+02
      5  -0.461981D+02  0.177816D+02 -0.647559D+01  0.452429D+01 -0.162485D+02
      6   0.154484D+02 -0.409337D+01  0.128357D+01  0.413951D-01  0.435613D+01
               221           222           223           224           225 
      1   0.700892D+01 -0.669314D+01  0.418404D+02 -0.108956D+02  0.919957D+01
      2   0.116980D+01  0.739069D+00 -0.225440D+02  0.373937D+01 -0.909127D+01
      3  -0.817872D+01  0.595407D+01 -0.192964D+02  0.715623D+01 -0.108303D+00
      4  -0.296079D+02  0.198620D+02 -0.240995D+02  0.244560D+02 -0.283377D+02
      5   0.209031D+02 -0.286901D+02  0.353752D+02 -0.309124D+02  0.616517D+02
      6  -0.662272D+01  0.985532D+01 -0.854062D+01  0.102649D+02 -0.134851D+02
               226           227           228           229           230 
      1  -0.183999D+01 -0.379747D+01 -0.192728D+02 -0.577045D+01 -0.112789D+02
      2  -0.348372D+01 -0.361299D+00 -0.569480D+00  0.376029D+01  0.906732D+00
      3   0.532371D+01  0.415877D+01  0.198423D+02  0.201016D+01  0.103721D+02
      4  -0.210624D+01 -0.371629D+01 -0.274176D+01 -0.213541D+01 -0.778818D+01
      5  -0.553661D+01 -0.214553D+00 -0.634932D+01  0.579205D+01 -0.761447D+01
      6   0.186249D+01  0.351323D+01  0.149385D+01  0.138826D+01  0.697666D+01
               231           232           233           234           235 
      1  -0.124452D+02 -0.109567D+02 -0.879915D+01 -0.358684D+02 -0.792461D+00
      2  -0.727049D+01  0.453189D+01 -0.393254D+01 -0.188768D+02  0.313742D+01
      3   0.197157D+02  0.642481D+01  0.127317D+02  0.547452D+02 -0.234496D+01
      4  -0.107393D+02 -0.107616D+01 -0.868707D+01 -0.133362D+02  0.456528D+01
      5  -0.212621D+02  0.638129D+01 -0.978062D+01 -0.435950D+02  0.761075D+00
      6   0.992158D+01  0.631011D+00  0.803812D+01  0.800587D+01 -0.312737D+01
               236           237           238           239           240 
      1   0.106830D+02 -0.566786D+01  0.120754D+02 -0.206810D+02  0.432625D+01
      2  -0.795491D+01 -0.436936D+00 -0.750986D+01  0.223953D+02 -0.415586D+00
      3  -0.272806D+01  0.610480D+01 -0.456557D+01 -0.171436D+01 -0.391066D+01
      4  -0.516279D+01  0.112821D+01  0.390112D+01  0.337231D+02 -0.729978D+01
      5  -0.161327D+01 -0.472628D+01 -0.787504D+01 -0.314328D+01  0.893353D+01
      6   0.535242D+01 -0.253767D+01  0.315578D+00 -0.217325D+02  0.896041D+01
               241           242           243           244           245 
      1   0.720337D+00  0.273871D+01 -0.843154D+01  0.118465D+03  0.110709D+02
      2  -0.225079D+01 -0.654532D+00  0.388573D+01 -0.681931D+02 -0.562422D+01
      3   0.153046D+01 -0.208418D+01  0.454581D+01 -0.502720D+02 -0.544665D+01
      4   0.113830D+01 -0.164205D+01  0.282266D+01  0.251399D+02  0.143781D+02
      5  -0.314669D+01  0.284589D+01  0.220930D+01 -0.660104D+02 -0.816588D+01
      6  -0.810842D+00  0.534769D+01 -0.169879D+01 -0.607015D+01 -0.496835D+01
               246           247           248           249           250 
      1  -0.228791D+02  0.795269D+01  0.897095D+01 -0.276002D+01 -0.767788D+01
      2   0.191677D+02 -0.318564D+01 -0.361557D+01  0.965429D-01  0.973342D+01
      3   0.371134D+01 -0.476705D+01 -0.535537D+01  0.266347D+01 -0.205554D+01
      4  -0.672700D+01  0.173180D+02  0.725726D+01 -0.486393D+01 -0.208477D+01
      5   0.301841D+02 -0.487088D+01 -0.683572D+01 -0.288348D+00  0.217356D+02
      6   0.380553D+01 -0.577599D+01 -0.304524D+01  0.308540D+01  0.268140D+01
               251           252           253           254           255 
      1  -0.179642D+01  0.100817D+02  0.704271D+02 -0.218699D+02  0.309916D+02
      2   0.372244D+00 -0.103435D+02 -0.453192D+02  0.128226D+02 -0.232329D+02
      3   0.142417D+01  0.261784D+00 -0.251079D+02  0.904734D+01 -0.775868D+01
      4  -0.173341D+01  0.708075D+00 -0.250460D+02  0.206413D+02 -0.813101D+01
      5   0.114401D+01 -0.124324D+02  0.516804D+02 -0.120103D+02  0.373526D+02
      6   0.171995D+01 -0.153400D+00 -0.717001D+01  0.703874D+01 -0.393079D+01
               256           257           258           259           260 
      1  -0.343518D+02  0.119014D+02 -0.650473D+01  0.410673D+02 -0.519017D+01
      2   0.240589D+02 -0.756847D+01  0.123821D+02 -0.370054D+02  0.106611D+02
      3   0.102929D+02 -0.433298D+01 -0.587734D+01 -0.406192D+01 -0.547097D+01
      4   0.258667D+02 -0.345750D+02  0.225315D+02 -0.140035D+02  0.271167D+02
      5  -0.256340D+02  0.228923D+02 -0.298759D+02  0.617648D+02 -0.242830D+02
      6   0.974425D+01 -0.137838D+02  0.144549D+02 -0.476149D+01  0.159744D+02
               261           262           263           264           265 
      1   0.125222D+02 -0.354678D+01  0.106107D+02 -0.173641D+00  0.937768D+01
      2  -0.384289D+02  0.554496D+01 -0.462589D+01  0.522572D+00 -0.866639D+00
      3   0.259066D+02 -0.199818D+01 -0.598476D+01 -0.348931D+00 -0.851105D+01
      4  -0.234716D+02  0.732262D+00 -0.644796D+00 -0.106657D+02  0.115821D+02
      5   0.716057D+02 -0.968366D+01 -0.711963D+01 -0.954896D+01 -0.639954D+01
      6  -0.123361D+02 -0.263357D+01 -0.537346D+01 -0.775774D+01 -0.432038D+01
               266           267           268           269           270 
      1  -0.108177D+02 -0.446161D+01 -0.811476D+01 -0.547078D+01 -0.747370D+01
      2   0.274556D+02  0.397783D+01  0.411626D+01  0.128687D+01  0.592463D+01
      3  -0.166380D+02  0.483778D+00  0.399850D+01  0.418391D+01  0.154906D+01
      4   0.307771D+02 -0.865469D+01 -0.188209D+02 -0.199401D+02 -0.151554D+02
      5  -0.859260D+01 -0.746446D+01 -0.161420D+02 -0.137210D+02 -0.331793D+02
      6   0.505389D+01  0.162735D+01 -0.111492D+02 -0.441449D+01 -0.148602D+02
               271           272           273           274           275 
      1   0.812731D+01  0.600956D+01  0.661818D+01  0.380091D+01 -0.220999D+01
      2  -0.399995D+01 -0.258991D+01 -0.410119D+01  0.205177D+00  0.503755D+01
      3  -0.412736D+01 -0.341965D+01 -0.251698D+01 -0.400608D+01 -0.282756D+01
      4   0.146636D+02  0.129641D+02  0.114187D+02  0.117070D+02  0.196400D+02
      5   0.132650D+02  0.101597D+02  0.144100D+02  0.759603D+01  0.109318D+02
      6   0.742552D+01  0.568048D+01  0.662206D+01  0.542476D+01  0.103566D+02
               276           277           278           279 
      1  -0.127683D+01  0.714147D+01 -0.131923D+01 -0.180559D+01
      2   0.231213D+01 -0.587692D+01  0.187096D+00 -0.567062D+01
      3  -0.103530D+01 -0.126456D+01  0.113214D+01  0.747622D+01
      4   0.117509D+02  0.191832D+02  0.250774D+02  0.259978D+02
      5   0.121271D+02  0.234913D+02  0.236603D+02  0.376013D+02
      6   0.907065D+01  0.121963D+02  0.166987D+02  0.213232D+02
 Leave Link  716 at Wed Sep 29 13:19:00 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.287586D+03 -0.187951D+02 -0.802384D+01
      2  -0.187951D+02  0.178752D+03 -0.518258D+01
      3  -0.802384D+01 -0.518258D+01  0.120178D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.113731D+02  0.204989D+02  0.313966D+01
      2  -0.783511D+02 -0.161131D+01 -0.256017D+02
      3   0.993598D+02 -0.424517D+02 -0.557943D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.413625D+03 -0.105654D+03 -0.875419D+02
      2  -0.177288D+03  0.893545D+02  0.795235D+01
      3  -0.236338D+03  0.162999D+02  0.795895D+02
      4  -0.546255D+02  0.848879D+02 -0.359489D+01
      5  -0.825578D+01  0.225057D+01 -0.845667D+02
      6  -0.298284D+01  0.203908D+02 -0.196226D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.410262D+02 -0.791967D+01 -0.158309D+01 -0.424180D+01  0.242078D+01
      2  -0.791967D+01  0.943942D+01 -0.753687D-01  0.242078D+01 -0.136057D+02
      3  -0.158309D+01 -0.753687D-01  0.317452D+01  0.656740D+00  0.144911D+01
                 6             7             8             9            10 
      1   0.656740D+00 -0.220929D+01  0.110778D+01  0.687535D+01  0.525608D+01
      2   0.144911D+01  0.110778D+01  0.218877D+00 -0.134091D+01  0.228803D+01
      3  -0.147358D+00  0.687535D+01 -0.134091D+01 -0.123452D+01 -0.277199D+00
                11            12            13            14            15 
      1   0.228803D+01 -0.277199D+00 -0.133415D+02  0.388051D+01  0.972658D+00
      2   0.903021D+01 -0.142734D+01  0.388051D+01  0.415450D+01 -0.140675D+01
      3  -0.142734D+01  0.219142D+01  0.972658D+00 -0.140675D+01 -0.140305D+01
                16            17            18            19            20 
      1   0.154206D+01 -0.486816D+00  0.373322D+01 -0.369532D+02  0.112782D+02
      2  -0.486816D+00 -0.192629D+01 -0.251703D+01  0.112782D+02 -0.883361D+01
      3   0.373322D+01 -0.251703D+01 -0.270276D+00  0.161598D+01  0.617421D+00
                21            22            23            24            25 
      1   0.161598D+01  0.194367D+02 -0.545986D+01 -0.780211D+00  0.171898D+01
      2   0.617421D+00 -0.545986D+01  0.716635D+01  0.312184D+00 -0.858475D-01
      3  -0.406103D+00 -0.780211D+00  0.312184D+00  0.220084D+01  0.363149D-01
                26            27            28            29            30 
      1  -0.858475D-01  0.363149D-01  0.361162D+02 -0.972820D+01 -0.139335D+01
      2   0.109690D+01  0.421008D+01 -0.972820D+01  0.306197D+01  0.328757D+00
      3   0.421008D+01 -0.109175D+01 -0.139335D+01  0.328757D+00  0.140161D+00
                31            32            33            34            35 
      1   0.446621D+02 -0.903202D+01 -0.297223D+01 -0.818580D+01  0.213137D+01
      2  -0.903202D+01  0.897034D+01  0.235417D+00  0.213137D+01 -0.116183D+01
      3  -0.297223D+01  0.235417D+00  0.479809D-01  0.137511D+01  0.859476D+00
                36            37            38            39            40 
      1   0.137511D+01 -0.395937D+02  0.108895D+02  0.150522D+01 -0.409586D+02
      2   0.859476D+00  0.108895D+02 -0.738607D+01 -0.443789D+00  0.771436D+01
      3  -0.857098D-01  0.150522D+01 -0.443789D+00  0.185307D+00  0.275758D+01
                41            42            43            44            45 
      1   0.771436D+01  0.275758D+01  0.827710D+01 -0.201509D+01 -0.145152D+01
      2  -0.656931D+01 -0.681899D-01 -0.201509D+01  0.135931D+01 -0.703908D+00
      3  -0.681899D-01 -0.151907D+00 -0.145152D+01 -0.703908D+00  0.106744D+00
                46            47            48            49            50 
      1  -0.603063D+01 -0.296268D+01  0.915932D+00 -0.983478D+00  0.347959D+01
      2  -0.296268D+01 -0.480347D+01  0.319784D+00  0.347959D+01 -0.213721D+01
      3   0.915932D+00  0.319784D+00 -0.197345D+01 -0.701069D+00 -0.697386D+00
                51            52            53            54            55 
      1  -0.701069D+00  0.661887D+00 -0.516240D+00 -0.572829D+00  0.119200D+02
      2  -0.697386D+00 -0.516240D+00 -0.114909D+00 -0.382019D+01  0.119593D+01
      3  -0.129258D+01 -0.572829D+00 -0.382019D+01  0.131351D+01 -0.155278D+01
                56            57            58            59            60 
      1   0.119593D+01 -0.155278D+01 -0.802255D+00 -0.254205D+01  0.747282D+00
      2   0.943321D+01 -0.731506D-02 -0.254205D+01 -0.274377D+00  0.747005D+00
      3  -0.731506D-02  0.163675D+01  0.747282D+00  0.747005D+00  0.133902D+01
                61            62            63            64            65 
      1  -0.711671D+00  0.735398D+00  0.126555D+01 -0.675743D+01 -0.227866D+01
      2   0.735398D+00  0.166472D+00  0.415229D+01 -0.227866D+01 -0.129994D+02
      3   0.126555D+01  0.415229D+01 -0.143242D+01  0.382699D+00  0.122434D+01
                66            67            68            69            70 
      1   0.382699D+00  0.836479D+01 -0.154679D+01 -0.434371D+00 -0.287613D+01
      2   0.122434D+01 -0.154679D+01 -0.762301D+01  0.126747D+01  0.160264D+00
      3  -0.226237D+01 -0.434371D+00  0.126747D+01  0.134542D+01 -0.529253D+01
                71            72            73            74            75 
      1   0.160264D+00 -0.529253D+01 -0.432234D+02  0.568904D+01  0.187547D+01
      2   0.278406D+01  0.250717D+01  0.568904D+01 -0.463453D+01  0.223077D+00
      3   0.250717D+01  0.813465D+00  0.187547D+01  0.223077D+00 -0.148230D+01
                76            77            78            79            80 
      1   0.928046D+01 -0.256228D+01 -0.123462D+01  0.463775D+00 -0.106566D+01
      2  -0.256228D+01  0.172272D+02 -0.125796D+01 -0.106566D+01 -0.787752D+00
      3  -0.123462D+01 -0.125796D+01 -0.354533D+00 -0.594763D+01  0.707110D+00
                81            82            83            84            85 
      1  -0.594763D+01  0.414540D+02 -0.110370D+02 -0.161313D+01 -0.201850D+02
      2   0.707110D+00 -0.110370D+02  0.112928D+02 -0.499950D+00  0.289975D+01
      3   0.860180D+00 -0.161313D+01 -0.499950D+00  0.292313D+00  0.532570D+00
                86            87            88            89            90 
      1   0.289975D+01  0.532570D+00 -0.294630D+01  0.328207D+00 -0.263157D+00
      2  -0.714159D+01  0.691490D-01  0.328207D+00 -0.960175D+00 -0.324734D+01
      3   0.691490D-01 -0.188883D+01 -0.263157D+00 -0.324734D+01  0.148681D+01
                91            92            93            94            95 
      1   0.602391D+01 -0.198469D+01 -0.941753D+00  0.420647D+01  0.225944D+01
      2  -0.198469D+01  0.191652D+01  0.838049D-01  0.225944D+01 -0.306395D+01
      3  -0.941753D+00  0.838049D-01  0.178937D+01 -0.618475D+00 -0.528798D+00
                96            97            98            99           100 
      1  -0.618475D+00  0.433134D+01  0.385695D+00  0.666305D+01 -0.123629D+02
      2  -0.528798D+00  0.385695D+00  0.490345D-01  0.226919D+01  0.489033D+01
      3   0.321179D+01  0.666305D+01  0.226919D+01 -0.652227D+00  0.428507D+00
               101           102           103           104           105 
      1   0.489033D+01  0.428507D+00 -0.788338D+00  0.277236D+01 -0.311101D+00
      2  -0.393728D+01 -0.268205D-01  0.277236D+01  0.119528D+01 -0.421352D+00
      3  -0.268205D-01  0.933753D-01 -0.311101D+00 -0.421352D+00 -0.913630D+00
               106           107           108           109           110 
      1   0.122761D+01 -0.670196D+00  0.128577D+00 -0.124859D+01 -0.404701D+01
      2  -0.670196D+00  0.387818D+00  0.743178D+00 -0.404701D+01  0.146859D+01
      3   0.128577D+00  0.743178D+00 -0.150682D+00  0.331231D+00  0.741626D+00
               111           112           113           114           115 
      1   0.331231D+00 -0.513663D+01 -0.154824D+01  0.104165D+01  0.293362D+00
      2   0.741626D+00 -0.154824D+01  0.188309D+01  0.965152D+00  0.867611D+00
      3  -0.148223D+00  0.104165D+01  0.965152D+00  0.566826D+01 -0.204772D+01
               116           117           118           119           120 
      1   0.867611D+00 -0.204772D+01  0.619605D+01 -0.332667D+01 -0.257958D+00
      2   0.604013D+00  0.442967D+01 -0.332667D+01  0.287706D+01  0.225517D-01
      3   0.442967D+01 -0.117235D+01 -0.257958D+00  0.225517D-01  0.360518D+00
               121           122           123           124           125 
      1  -0.462959D+01  0.458973D+01 -0.156596D+00 -0.259532D+00 -0.208387D+00
      2   0.458973D+01 -0.563542D+01  0.853489D-01 -0.208387D+00  0.275878D+00
      3  -0.156596D+00  0.853489D-01 -0.632901D+00 -0.358613D+00 -0.145947D+00
               126           127           128           129           130 
      1  -0.358613D+00  0.180554D+01  0.285344D+01 -0.384419D+00  0.329692D+01
      2  -0.145947D+00  0.285344D+01  0.213391D+01 -0.425354D+00  0.360075D+01
      3   0.140976D+00 -0.384419D+00 -0.425354D+00  0.443911D+00 -0.536827D+00
               131           132           133           134           135 
      1   0.360075D+01 -0.536827D+00 -0.484260D+00 -0.622276D+00  0.400283D+00
      2   0.762817D+01 -0.958044D+00 -0.622276D+00 -0.100430D+01  0.304694D+00
      3  -0.958044D+00  0.107181D+01  0.400283D+00  0.304694D+00 -0.248121D+00
               136           137           138           139           140 
      1  -0.921459D+00 -0.165194D+01  0.243301D+00 -0.526253D+00 -0.121732D+01
      2  -0.165194D+01 -0.224121D+01  0.378794D+00 -0.121732D+01 -0.929124D+01
      3   0.243301D+00  0.378794D+00 -0.297829D+00  0.108673D+00  0.996649D+00
               141           142           143           144           145 
      1   0.108673D+00  0.179114D+00  0.319284D+00  0.328110D-01  0.118939D+01
      2   0.996649D+00  0.319284D+00  0.117636D+01 -0.339751D+00  0.180702D+01
      3  -0.966788D+00  0.328110D-01 -0.339751D+00  0.181737D+00 -0.270821D+00
               146           147           148           149           150 
      1   0.180702D+01 -0.270821D+00  0.779507D+00  0.175435D+01 -0.145967D+00
      2   0.260549D+01 -0.401985D+00  0.175435D+01  0.105920D+02 -0.104875D+01
      3  -0.401985D+00  0.307458D+00 -0.145967D+00 -0.104875D+01  0.101824D+01
               151           152           153           154           155 
      1   0.138194D+00 -0.437920D+00  0.105147D+00 -0.586245D+01  0.355456D+01
      2  -0.437920D+00 -0.134035D+01  0.342093D+00  0.355456D+01 -0.363464D+01
      3   0.105147D+00  0.342093D+00 -0.205779D+00  0.268753D+00 -0.575712D-01
               156           157           158           159           160 
      1   0.268753D+00  0.373501D+01 -0.464780D+01  0.189173D+00  0.142788D+00
      2  -0.575712D-01 -0.464780D+01  0.635388D+01 -0.338404D-02  0.261725D+00
      3  -0.473617D+00  0.189173D+00 -0.338404D-02  0.746260D+00  0.302961D+00
               161           162           163           164           165 
      1   0.261725D+00  0.302961D+00 -0.253265D+01 -0.244576D+01  0.184123D+00
      2  -0.293621D+00  0.345640D+00 -0.244576D+01 -0.940810D+00  0.187564D+00
      3   0.345640D+00 -0.165355D+00  0.184123D+00  0.187564D+00 -0.452577D+00
               166           167           168           169           170 
      1  -0.311975D+01 -0.284294D+01  0.456875D+00 -0.196326D+00  0.295563D+00
      2  -0.284294D+01 -0.565113D+01  0.727386D+00  0.295563D+00  0.394972D+00
      3   0.456875D+00  0.727386D+00 -0.980921D+00 -0.504752D+00 -0.305001D+00
               171           172           173           174           175 
      1  -0.504752D+00 -0.176706D+01  0.234378D+01  0.208456D+00  0.413713D+01
      2  -0.305001D+00  0.234378D+01 -0.165650D+01 -0.265936D+00 -0.235241D+01
      3   0.601252D-01  0.208456D+00 -0.265936D+00 -0.899245D+00 -0.551263D+00
               176           177           178           179           180 
      1  -0.235241D+01 -0.551263D+00 -0.135019D+00 -0.321417D+00 -0.135892D+01
      2   0.510834D+01  0.429489D+00 -0.321417D+00  0.342700D+00  0.676941D+00
      3   0.429489D+00  0.961896D+00 -0.135892D+01  0.676941D+00  0.341237D+00
               181           182           183           184           185 
      1   0.101696D+02  0.141225D+01 -0.172811D+01 -0.168168D+01 -0.196305D+01
      2   0.141225D+01 -0.134601D+01 -0.525212D+00 -0.196305D+01  0.255194D+01
      3  -0.172811D+01 -0.525212D+00 -0.277982D+01  0.762517D+00 -0.280022D+00
               186           187           188           189           190 
      1   0.762517D+00  0.249553D+01  0.371329D+00 -0.404045D+01  0.375924D+01
      2  -0.280022D+00  0.371329D+00 -0.301840D-01 -0.315682D+01 -0.896837D+00
      3  -0.483314D+01 -0.404045D+01 -0.315682D+01 -0.505222D+00  0.222904D+01
               191           192           193           194           195 
      1  -0.896837D+00  0.222904D+01 -0.330099D+01 -0.505654D+00 -0.191723D+01
      2  -0.262140D+00 -0.976345D+00 -0.505654D+00 -0.113513D+00  0.482490D+00
      3  -0.976345D+00  0.122215D+01 -0.191723D+01  0.482490D+00 -0.389731D+01
               196           197           198           199           200 
      1   0.365040D+01 -0.131983D+01  0.520763D+00  0.143060D+02  0.183174D+01
      2  -0.131983D+01  0.278758D+00 -0.255479D+01  0.183174D+01  0.100677D+01
      3   0.520763D+00 -0.255479D+01  0.887025D+00 -0.129705D+01 -0.188443D+00
               201           202           203           204           205 
      1  -0.129705D+01  0.520179D+01  0.179326D+01 -0.512689D+00 -0.164487D+01
      2  -0.188443D+00  0.179326D+01  0.144161D+01 -0.303542D+00 -0.244096D+00
      3   0.121572D+01 -0.512689D+00 -0.303542D+00  0.300581D+00  0.188794D+01
               206           207           208           209           210 
      1  -0.244096D+00  0.188794D+01 -0.639890D+00 -0.117530D+00 -0.949476D+00
      2  -0.278857D+00 -0.133290D+00 -0.117530D+00 -0.530525D+00 -0.893734D-01
      3  -0.133290D+00 -0.438920D+00 -0.949476D+00 -0.893734D-01 -0.525225D+00
               211           212           213           214           215 
      1  -0.159728D+01  0.192721D+01  0.112310D+01 -0.328312D+01  0.145116D+01
      2   0.192721D+01 -0.381529D+01 -0.259543D+01  0.145116D+01 -0.259136D+01
      3   0.112310D+01 -0.259543D+01 -0.297360D+01  0.213762D+01 -0.307509D+01
               216           217           218           219           220 
      1   0.213762D+01  0.689557D+00 -0.303732D+00  0.150843D+01 -0.128140D+01
      2  -0.307509D+01 -0.303732D+00 -0.102556D+00 -0.442944D+00  0.177830D+01
      3  -0.441307D+01  0.150843D+01 -0.442944D+00  0.107781D+00 -0.125693D+01
               221           222           223           224           225 
      1   0.177830D+01 -0.125693D+01  0.457792D+01 -0.188269D+01  0.274303D+01
      2  -0.248512D+01  0.176177D+01 -0.188269D+01  0.211330D+01 -0.266379D+01
      3   0.176177D+01 -0.239009D+01  0.274303D+01 -0.266379D+01  0.533333D+01
               226           227           228           229           230 
      1   0.768385D-01  0.473640D+00  0.115367D+01  0.140306D+01  0.421976D+00
      2   0.473640D+00  0.582687D+00  0.388039D+00  0.421976D+00  0.111373D+01
      3   0.115367D+01  0.388039D+00  0.233412D+01 -0.321108D+00  0.158607D+01
               231           232           233           234           235 
      1  -0.321108D+00  0.111267D+01  0.166363D+00  0.303958D+00  0.289051D+00
      2   0.158607D+01  0.166363D+00  0.128846D+01  0.178538D+01 -0.769958D+00
      3   0.341833D+01  0.303958D+00  0.178538D+01  0.768134D+01 -0.935133D-01
               236           237           238           239           240 
      1  -0.769958D+00 -0.935133D-01 -0.204080D+01  0.444886D-02  0.379059D+00
      2   0.104448D+01 -0.286150D+00  0.444886D-02 -0.522715D+01  0.111702D+01
      3  -0.286150D+00  0.103785D+01  0.379059D+00  0.111702D+01 -0.140078D+01
               241           242           243           244           245 
      1  -0.643701D+00 -0.196370D+00  0.602174D+00 -0.151004D+02 -0.184329D+01
      2  -0.196370D+00  0.394974D+00 -0.573382D+00 -0.184329D+01 -0.103017D+01
      3   0.602174D+00 -0.573382D+00  0.719772D-01  0.380853D+01  0.576941D+00
               246           247           248           249           250 
      1   0.380853D+01 -0.159836D+01 -0.144103D+01  0.275514D+00  0.134404D+01
      2   0.576941D+00 -0.144103D+01 -0.614787D+00  0.489901D+00  0.185756D+00
      3  -0.232034D+01  0.275514D+00  0.489901D+00  0.270775D+00 -0.164517D+01
               251           252           253           254           255 
      1   0.185756D+00 -0.164517D+01 -0.823898D+01  0.254063D+01 -0.411236D+01
      2  -0.116889D-01  0.524472D-01  0.254063D+01 -0.133774D+01  0.857460D+00
      3   0.524472D-01  0.973464D+00 -0.411236D+01  0.857460D+00 -0.281122D+01
               256           257           258           259           260 
      1   0.627656D+01 -0.204130D+01  0.228885D+01 -0.847895D+01  0.113957D+01
      2  -0.204130D+01  0.389628D+01 -0.243825D+01  0.113957D+01 -0.202953D+01
      3   0.228885D+01 -0.243825D+01  0.335812D+01 -0.551318D+01  0.264920D+01
               261           262           263           264           265 
      1  -0.551318D+01  0.225622D+01 -0.373621D+00  0.109078D+01 -0.364306D+01
      2   0.264920D+01 -0.373621D+00  0.106139D+01  0.118580D+01 -0.425769D+00
      3  -0.762577D+01  0.109078D+01  0.118580D+01  0.173041D+01  0.991713D+00
               266           267           268           269           270 
      1  -0.425769D+00  0.991713D+00  0.219703D+01  0.206689D+01  0.249145D+01
      2  -0.351724D+01  0.702816D+00  0.206689D+01  0.262014D+01  0.154954D+01
      3   0.702816D+00  0.915552D+00  0.249145D+01  0.154954D+01  0.429721D+01
               271           272           273           274           275 
      1  -0.130115D+01 -0.136081D+01 -0.129511D+01 -0.923689D+00 -0.116833D+01
      2  -0.136081D+01 -0.127776D+01 -0.996078D+00 -0.116833D+01 -0.251663D+01
      3  -0.129511D+01 -0.996078D+00 -0.143081D+01 -0.833267D+00 -0.141658D+01
               276           277           278           279 
      1  -0.833267D+00 -0.229882D+01 -0.190112D+01 -0.260881D+01
      2  -0.141658D+01 -0.190112D+01 -0.302117D+01 -0.300684D+01
      3  -0.164746D+01 -0.260881D+01 -0.300684D+01 -0.485696D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.327195D+00  0.460769D+01 -0.254832D+01  0.388691D+01 -0.112773D+01
      2  -0.112678D+02  0.430920D+01  0.233205D+00  0.577594D+01 -0.286190D+01
      3   0.131647D+02  0.142845D+02 -0.178309D+01  0.336472D+02 -0.704750D+00
                 6             7             8             9            10 
      1   0.331785D+01 -0.107026D+01  0.130891D+02 -0.123515D+01 -0.104923D+00
      2  -0.506150D+00  0.287420D+01  0.230812D+01 -0.203275D+01 -0.229873D+01
      3  -0.247344D+01 -0.426251D+01 -0.267040D+01  0.483285D+01 -0.208467D+02
                11            12            13            14            15 
      1   0.327455D+01  0.451570D+01 -0.620936D-01  0.166285D+00 -0.197702D+01
      2   0.748478D+00  0.684407D+01  0.135528D+01 -0.224190D+01 -0.318789D+01
      3   0.272843D+01  0.141500D+00 -0.187687D+02 -0.882196D+01  0.274957D+01
                16            17            18            19            20 
      1   0.112070D+02  0.558577D+01 -0.266431D+01 -0.271325D+01 -0.391606D+01
      2  -0.559433D+01 -0.104252D+02  0.185389D+00  0.802301D+01 -0.557771D+01
      3   0.349915D+01  0.126110D+01 -0.967382D-01 -0.385990D+02 -0.259496D+02
                21            22            23            24            25 
      1   0.120173D+01 -0.831712D+00  0.234055D+01 -0.337123D+01 -0.661765D+01
      2   0.266052D+01 -0.642173D+01  0.518617D+01  0.382666D+01 -0.178086D+02
      3   0.471827D+01  0.119648D+02  0.755104D+01 -0.281424D+01  0.400261D+01
                26            27            28            29            30 
      1   0.326605D+01  0.726162D+00  0.140074D+01  0.462655D+01 -0.963465D+00
      2   0.174435D+02 -0.168854D+01 -0.132802D+02  0.816904D+01 -0.350333D+01
      3  -0.112975D+01 -0.946399D+01  0.309766D+02  0.374576D+02 -0.603374D+01
                31            32            33            34            35 
      1   0.417564D+01  0.254055D+00  0.779094D+00 -0.456770D+01  0.669046D+01
      2  -0.713022D+01 -0.159481D+01  0.126443D+01 -0.167454D+02  0.998236D+00
      3   0.674576D+02 -0.312826D+02 -0.250797D+01 -0.758733D+01 -0.144462D+01
                36            37            38            39            40 
      1  -0.130485D+00 -0.502153D+00  0.308903D+01 -0.561870D+00  0.345686D+01
      2   0.147501D+01  0.119009D+02  0.218710D+01 -0.537112D+00  0.116569D+02
      3   0.581413D+00 -0.166366D+02  0.428644D+02 -0.427117D+01  0.206030D+02
                41            42            43            44            45 
      1  -0.338463D+01 -0.151853D+00 -0.392400D+01  0.881082D+01 -0.755621D+00
      2  -0.499468D+01 -0.121612D+00 -0.206853D+02  0.183626D+01  0.161170D+01
      3  -0.268430D+02  0.118570D+01  0.229176D+01 -0.271783D+01  0.124692D+01
                46            47            48            49            50 
      1   0.193078D+01 -0.505309D+01 -0.386139D+01 -0.106060D+01  0.200995D+01
      2   0.569866D+00 -0.440611D+01 -0.465531D+01 -0.163902D+01  0.177050D+01
      3   0.353782D+02 -0.337662D+02  0.293236D+01 -0.678903D+01  0.298859D+02
                51            52            53            54            55 
      1  -0.221006D+01 -0.761063D+01 -0.231464D+01  0.185975D+01  0.137596D+01
      2  -0.260362D+01 -0.214009D+02 -0.284765D+01  0.393603D+01  0.208962D+01
      3  -0.143702D+01  0.127214D+01  0.213329D+01  0.996331D+01  0.341755D+02
                56            57            58            59            60 
      1  -0.155608D+01 -0.422482D+01 -0.249408D+01  0.148526D+01 -0.336663D+01
      2  -0.563966D+01  0.776848D+00 -0.291260D+01  0.379185D+01 -0.515266D+00
      3  -0.345059D+02  0.181629D+01 -0.623856D+01  0.239691D+02 -0.131894D+01
                61            62            63            64            65 
      1  -0.871903D+01 -0.420521D+01  0.376449D+01  0.226254D+00 -0.187822D+01
      2  -0.172295D+02  0.851240D+00  0.139810D+01 -0.242898D+01  0.159656D+01
      3  -0.119056D+00  0.194288D+01  0.442365D+01 -0.186813D+02  0.621427D+01
                66            67            68            69            70 
      1   0.545154D+01  0.310285D+01 -0.198312D+01 -0.973307D+00  0.145091D+02
      2   0.267704D+01 -0.588274D+01 -0.140193D+00 -0.207089D+01 -0.486973D+01
      3  -0.152041D+01  0.757624D+01  0.102326D+01 -0.142308D+01 -0.206264D+01
                71            72            73            74            75 
      1   0.561129D+01 -0.274051D+01 -0.555667D+01  0.192604D+01 -0.269437D+00
      2  -0.829264D+01  0.219498D+01  0.136171D+02 -0.164733D+01 -0.876037D+00
      3  -0.118571D+01 -0.624968D+01 -0.369665D+02  0.112284D+02  0.811484D+00
                76            77            78            79            80 
      1   0.164903D+01  0.498727D+01  0.284691D+00  0.216045D+01  0.127992D+02
      2   0.288093D+00 -0.630019D+00  0.228227D+01 -0.823373D+01  0.254936D+01
      3   0.326750D+02 -0.117134D+02  0.662554D+00 -0.249375D+01 -0.108691D+01
                81            82            83            84            85 
      1  -0.247974D+01  0.593555D+00 -0.797877D+00  0.105731D+01 -0.145475D+01
      2   0.170200D+01 -0.177170D+02  0.296857D+00  0.132946D+00  0.733926D+01
      3  -0.452896D+01  0.151590D+02 -0.390783D+02  0.401156D+01 -0.959900D+01
                86            87            88            89            90 
      1  -0.840025D+00 -0.101799D+01 -0.398567D+01  0.373805D+01 -0.480099D+00
      2   0.743929D+00  0.165341D+01 -0.188541D+02  0.881820D+01 -0.406949D+00
      3   0.617921D+01 -0.752768D+00  0.421307D+00  0.190779D+01 -0.214812D+01
                91            92            93            94            95 
      1   0.302898D+01  0.189818D+01  0.618463D+00  0.549707D+01 -0.172332D+01
      2  -0.387027D+01  0.678317D+00 -0.810760D+00 -0.416917D+01 -0.402985D+00
      3   0.836783D+01  0.158779D+01  0.890094D+00  0.281633D+02 -0.158077D+02
                96            97            98            99           100 
      1  -0.522681D+01  0.377459D+01  0.231430D+01  0.144501D+01  0.893922D+00
      2  -0.935146D+01 -0.364876D+02 -0.794714D+01 -0.181037D+01  0.471000D+01
      3  -0.273315D+01  0.832654D+01 -0.783410D+00  0.152632D+02 -0.595720D+01
               101           102           103           104           105 
      1  -0.454328D+01  0.285336D+01  0.995341D-01 -0.119369D+01 -0.481201D+01
      2  -0.340216D+01  0.135453D+02 -0.105402D+01 -0.186220D+01 -0.541662D+01
      3  -0.371473D+02  0.208958D+01 -0.239307D+01 -0.830741D+01  0.161123D+01
               106           107           108           109           110 
      1   0.159511D+01 -0.115181D+01  0.972058D-01  0.124866D+01  0.162937D+01
      2  -0.572383D+01  0.267686D+01 -0.948279D+00  0.109794D+01  0.446368D+01
      3   0.779718D+00  0.419697D+01 -0.350977D+01  0.328170D+02  0.447414D+01
               111           112           113           114           115 
      1  -0.117592D+01  0.121808D+01 -0.698327D+00  0.531944D+01 -0.995741D+01
      2  -0.835954D+00  0.577203D+01  0.458449D+01  0.355810D+02 -0.163365D+02
      3  -0.650670D+01  0.194458D+02 -0.251030D+02 -0.650640D+01 -0.604087D+01
               116           117           118           119           120 
      1   0.832152D+01 -0.241366D+01 -0.124188D+01  0.511287D+00  0.170527D+01
      2   0.282013D+02 -0.763000D+01 -0.211310D+01  0.632962D+00  0.178587D+01
      3  -0.479471D+01 -0.287575D+02 -0.369106D+01 -0.426342D+01  0.594278D+00
               121           122           123           124           125 
      1   0.200484D-01 -0.165872D+00 -0.280336D+01 -0.227069D+01  0.101976D+01
      2   0.135161D+00 -0.238240D+00 -0.303534D+01 -0.257665D+01 -0.199531D+00
      3  -0.475410D+01  0.128573D+02 -0.175486D+00  0.148748D+01 -0.912857D+00
               126           127           128           129           130 
      1   0.333010D+00  0.151561D+00  0.253567D+00 -0.145565D+01  0.250963D+00
      2   0.637035D+00 -0.832021D+00 -0.997802D+00  0.178250D+01 -0.972948D+00
      3   0.115779D+01 -0.383044D+01 -0.340274D+01  0.655999D+00 -0.227708D+01
               131           132           133           134           135 
      1  -0.244276D+00 -0.369455D+01 -0.344313D+00  0.160270D+01  0.392496D+00
      2  -0.256670D+01  0.369980D+01 -0.119429D+01  0.150215D+00 -0.496784D+00
      3  -0.185709D+02  0.200067D+01  0.888637D+00  0.211933D+01 -0.571324D-01
               136           137           138           139           140 
      1   0.328088D+00  0.188070D+00 -0.152433D+01 -0.319947D-01 -0.594631D+00
      2   0.100779D+01  0.940296D+00  0.260550D-01  0.631232D+00  0.186972D+01
      3   0.827847D+01  0.581078D+01 -0.124731D+01  0.613141D+01  0.187005D+02
               141           142           143           144           145 
      1  -0.421490D+01  0.757574D+00  0.241955D+01  0.152204D+00  0.983096D+00
      2  -0.501730D+00 -0.168225D+00 -0.237649D+00 -0.142685D-01  0.423079D+00
      3  -0.212707D+01 -0.145210D+01 -0.281576D+01  0.215667D-01  0.576004D+01
               146           147           148           149           150 
      1   0.112343D+01 -0.185482D+01  0.689685D+00  0.264249D+01 -0.521481D+01
      2  -0.899823D-02  0.842169D+00  0.314161D+00 -0.146262D+00  0.126312D+01
      3   0.333174D+01 -0.884200D+00  0.532128D+01  0.379427D+01 -0.589356D+00
               151           152           153           154           155 
      1   0.128828D+01  0.167439D+01  0.412280D+00  0.107885D+00 -0.457049D+00
      2  -0.825893D+00  0.906928D+00 -0.519445D+00 -0.500450D-01 -0.198015D+00
      3  -0.851385D+00 -0.125422D+01 -0.632533D+00 -0.103479D+02  0.161648D+01
               156           157           158           159           160 
      1   0.258330D+01 -0.176276D+01  0.159442D+01 -0.347751D+01 -0.252124D+01
      2   0.179785D+01 -0.822972D+00  0.495902D+00 -0.256618D+01 -0.223969D+01
      3   0.431634D+00  0.365569D+01  0.513851D+00  0.321811D+00  0.132730D+01
               161           162           163           164           165 
      1   0.674163D+00  0.605787D+00 -0.119455D+01 -0.102585D+00 -0.162844D+01
      2  -0.217876D+00  0.284774D+00  0.725119D+00  0.655828D+00  0.408897D+00
      3   0.164602D+00  0.989622D+00  0.279470D+01  0.134202D+01  0.109764D+00
               166           167           168           169           170 
      1  -0.733481D+00 -0.212544D+01 -0.326087D+01 -0.179023D+01  0.179931D+01
      2   0.110385D+01 -0.187120D-01  0.147744D+01 -0.125083D+01 -0.102917D+01
      3   0.442856D+01 -0.458974D+01  0.303881D+00 -0.828551D+00  0.689230D+00
               171           172           173           174           175 
      1   0.267469D-01  0.129999D+01 -0.848319D+00  0.902814D+00 -0.588991D+00
      2   0.670473D+00  0.210777D+00 -0.505618D+00  0.374438D+01  0.357064D-01
      3   0.877471D+00  0.810938D+01 -0.645124D+01 -0.936703D+00 -0.268458D+01
               176           177           178           179           180 
      1   0.311293D+01 -0.230077D+01  0.271346D+00  0.113482D+01  0.456009D+00
      2   0.279168D+00 -0.351365D+01  0.291944D+01 -0.182323D+01 -0.560151D+00
      3   0.188149D+02  0.743753D+00 -0.181932D+01  0.137454D+01  0.149627D+01
               181           182           183           184           185 
      1   0.233053D+01 -0.548121D+01 -0.196316D+01 -0.332750D+01  0.718574D+01
      2  -0.126673D+02 -0.186632D+01  0.170489D+02 -0.384513D+01  0.547385D+01
      3  -0.130074D+01 -0.122554D+02  0.162077D+01 -0.111029D+02  0.147427D+02
               186           187           188           189           190 
      1  -0.539720D+01  0.635142D+00 -0.747831D-01 -0.925551D+01 -0.145193D+00
      2   0.165533D+02  0.126704D+02  0.111530D+02  0.893722D+01  0.933973D+01
      3   0.105202D+01  0.632186D+01 -0.355854D+00 -0.129665D+02 -0.869911D+01
               191           192           193           194           195 
      1  -0.671561D+01 -0.358765D+01 -0.782705D+01  0.201996D+01 -0.118065D+01
      2   0.533131D+01  0.445594D+01  0.159445D+02 -0.466254D+00  0.145257D+02
      3  -0.650380D+01 -0.669287D+01 -0.473013D+01 -0.130778D+01  0.472598D+01
               196           197           198           199           200 
      1   0.747825D+00 -0.675666D+00  0.824887D+00 -0.148798D+01 -0.794277D+00
      2  -0.403613D+01  0.873205D+01 -0.133681D+02 -0.399836D+01 -0.788898D+00
      3  -0.549111D+01  0.158507D+02 -0.112217D+02 -0.210455D+02 -0.108007D+02
               201           202           203           204           205 
      1   0.449182D+00 -0.845463D+00 -0.748597D+00 -0.689353D+00  0.163704D+01
      2   0.905076D+01 -0.184368D+01 -0.130596D+01  0.221280D+01  0.923526D+01
      3   0.226201D+01 -0.132818D+02 -0.102781D+02  0.216626D+01  0.276638D+01
               206           207           208           209           210 
      1   0.335366D+00 -0.128343D+00  0.269436D+00  0.108011D+00 -0.110860D+01
      2  -0.802875D+00 -0.217579D+01 -0.678285D+01 -0.843242D+00 -0.269179D+01
      3   0.218977D+01  0.165455D-01  0.274196D+01  0.267420D+01  0.174683D+01
               211           212           213           214           215 
      1   0.330973D+00  0.300695D+00 -0.324622D+01  0.170255D+01  0.125091D+00
      2   0.403478D+01 -0.136203D+02 -0.170210D+02  0.812691D+01 -0.174730D+02
      3  -0.846952D+01  0.260498D+02  0.152502D+02 -0.545728D+01  0.166581D+02
               216           217           218           219           220 
      1  -0.414319D+01  0.634248D+00 -0.261945D+00 -0.625351D-01 -0.134598D+01
      2  -0.242595D+02  0.978732D+01 -0.261330D+01  0.108846D+01 -0.624017D+01
      3   0.185831D+02  0.271204D+01 -0.321864D+00  0.140244D+01 -0.846618D+01
               221           222           223           224           225 
      1   0.182245D+01 -0.367552D+01  0.357142D+01 -0.930104D+00  0.690371D+01
      2   0.102592D+02 -0.145596D+02  0.125445D+02 -0.161974D+02  0.315208D+02
      3   0.177965D+02 -0.105879D+02  0.752459D+01 -0.141137D+02  0.162807D+02
               226           227           228           229           230 
      1   0.148345D+01  0.260227D+01  0.123917D+01  0.188674D+01  0.388712D+01
      2  -0.623475D+01 -0.231618D+01 -0.960135D+01 -0.220883D+01 -0.659923D+01
      3   0.153220D+01  0.206239D+01  0.129251D+00  0.324685D+01  0.349247D+01
               231           232           233           234           235 
      1   0.325622D+01  0.710848D+00  0.574273D+01  0.696346D+01 -0.316489D+01
      2  -0.117367D+02 -0.573223D+01 -0.742875D+01 -0.283836D+02 -0.168473D+01
      3   0.457092D+01 -0.151508D+00  0.382390D+01  0.473771D+01 -0.742203D+01
               236           237           238           239           240 
      1   0.280216D+01  0.106735D+01  0.136069D+01 -0.117183D+02 -0.131834D+01
      2   0.277123D+01 -0.279710D+01  0.259664D+01 -0.576982D+01  0.408465D+01
      3   0.559019D+01 -0.633492D+00  0.480040D+01 -0.216737D+02  0.378534D+01
               241           242           243           244           245 
      1   0.498926D+00  0.684584D+00 -0.211807D+01 -0.186318D+01 -0.263758D+01
      2  -0.186384D+01  0.200016D+01 -0.141735D+01  0.118651D+02  0.449622D+00
      3   0.855174D+00  0.101307D+01 -0.308314D+01 -0.165117D+01 -0.675330D+01
               246           247           248           249           250 
      1  -0.325665D+00 -0.251463D+01 -0.167624D+01  0.721488D-01 -0.411831D+00
      2   0.582533D+01  0.140017D+01  0.100077D+00 -0.119111D+01  0.246467D+01
      3   0.152445D+01 -0.388362D+01 -0.338119D+01  0.151625D+01 -0.764782D+00
               251           252           253           254           255 
      1   0.891306D+00  0.729101D+00 -0.417325D+01  0.505614D+01  0.241259D+01
      2  -0.610359D+00 -0.116093D+01  0.801169D+01 -0.256353D+01  0.110702D+02
      3   0.108603D+01  0.778939D+00  0.913687D+01 -0.965931D+01  0.445812D+01
               256           257           258           259           260 
      1   0.433871D+01 -0.616661D+01 -0.123953D+01 -0.119045D+01  0.897672D+01
      2  -0.129934D+02  0.768711D+01 -0.128524D+02  0.170985D+02 -0.937699D+01
      3  -0.145422D+01  0.186152D+02 -0.971344D+01 -0.343344D+01 -0.171024D+02
               261           262           263           264           265 
      1  -0.765047D+00  0.463033D+01  0.145986D+01  0.265078D+01 -0.204813D+01
      2   0.327916D+02 -0.539640D+01 -0.578286D+01 -0.390618D+01 -0.211971D+01
      3   0.882237D+01 -0.272985D+01  0.219869D+01  0.320595D+01  0.143835D+01
               266           267           268           269           270 
      1   0.395700D+01 -0.574316D+01  0.257767D+01  0.233675D+01  0.701471D+01
      2  -0.153147D+01 -0.309385D+01 -0.839084D+01 -0.440378D+01 -0.136751D+02
      3  -0.172106D+02  0.265978D+01  0.530107D+01  0.607314D+01  0.234793D+01
               271           272           273           274           275 
      1  -0.442335D+00 -0.113041D+00 -0.159250D+01 -0.101781D+01 -0.785914D+00
      2   0.322684D+01  0.333782D+01  0.450686D+01  0.187261D+01  0.474970D+01
      3  -0.331033D+01 -0.397997D+01 -0.244523D+01 -0.186014D+01 -0.778416D+01
               276           277           278           279 
      1  -0.255480D+01 -0.205299D+01 -0.918523D+00 -0.599499D+01
      2   0.542031D+01  0.651136D+01  0.100817D+02  0.172146D+02
      3  -0.415745D+01 -0.425008D+01 -0.101163D+02 -0.970556D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.154904D+03 -0.396362D+02 -0.711949D+01  0.105412D+02 -0.328683D+02
      2  -0.854297D+02  0.244979D+02  0.239808D+01 -0.135239D+02  0.330876D+02
      3  -0.694741D+02  0.151383D+02  0.472140D+01  0.298274D+01 -0.219353D+00
      4  -0.177581D+02  0.312928D+02 -0.149161D+01 -0.303388D+02 -0.630401D+02
      5  -0.153222D+01 -0.974597D+00  0.267909D+01  0.699870D+01  0.672899D+01
      6   0.115256D+00  0.116045D+01  0.393568D+01  0.591959D+01 -0.344049D+01
                 6             7             8             9            10 
      1   0.450680D+01 -0.593961D+01  0.853165D+01  0.250204D+02  0.293013D+01
      2  -0.505738D+01  0.519170D+01 -0.719054D+01 -0.233312D+02 -0.194488D+01
      3   0.550587D+00  0.747914D+00 -0.134111D+01 -0.168916D+01 -0.985251D+00
      4   0.919374D+01  0.987559D+01  0.248016D+01 -0.294167D+01  0.358774D+02
      5  -0.125685D+01  0.487148D+02 -0.880898D+01 -0.363566D+01  0.300942D+01
      6  -0.398549D+01  0.234046D+00  0.329645D+01  0.178364D+01 -0.542492D+01
                11            12            13            14            15 
      1   0.604067D+02 -0.468241D+01 -0.771545D+02  0.365502D+02  0.184930D+01
      2  -0.409764D+02  0.137932D+01  0.532005D+02 -0.302388D+02 -0.105275D+01
      3  -0.194303D+02  0.330309D+01  0.239541D+02 -0.631142D+01 -0.796547D+00
      4   0.342055D+02 -0.799064D+01  0.331369D+02  0.303191D+02 -0.850141D+01
      5  -0.913122D+01  0.146706D+02  0.391287D+01 -0.712623D+01 -0.841332D+01
      6   0.321319D+01 -0.829900D+01 -0.610870D+01  0.284649D+01  0.474151D+01
                16            17            18            19            20 
      1   0.119198D+02 -0.123017D+02  0.102115D+01 -0.114149D+03  0.946378D+01
      2  -0.107959D+02  0.953853D+01 -0.683617D+01  0.526153D+02 -0.128071D+01
      3  -0.112391D+01  0.276319D+01  0.581503D+01  0.615337D+02 -0.818307D+01
      4  -0.738643D+01 -0.900514D+01 -0.147453D+02  0.116259D+02 -0.371721D+02
      5   0.258160D+02 -0.158202D+02  0.235066D+01  0.724904D+01  0.707561D+01
      6  -0.158168D+02  0.101098D+02  0.259642D+01  0.535569D+01  0.763186D+00
                21            22            23            24            25 
      1   0.721772D+01  0.896085D+02 -0.118939D+02 -0.713654D+01  0.124493D+01
      2  -0.375961D+01 -0.563909D+02 -0.488573D+01  0.604879D+01  0.142397D+01
      3  -0.345811D+01 -0.332177D+02  0.167796D+02  0.108776D+01 -0.266890D+01
      4   0.614981D+01 -0.937043D+01  0.234992D+02  0.205685D+01  0.329023D+01
      5   0.293916D+01 -0.360379D+01  0.291391D+01  0.927951D+01  0.343143D+01
      6  -0.932566D+00  0.156449D+01  0.546233D+01  0.477035D+01  0.319211D+01
                26            27            28            29            30 
      1   0.247250D+01 -0.172194D+02  0.898323D+02  0.936184D+00 -0.900904D+01
      2   0.256258D+01  0.187054D+01 -0.392342D+02 -0.384169D+01  0.340579D+01
      3  -0.503509D+01  0.153488D+02 -0.505981D+02  0.290550D+01  0.560325D+01
      4   0.836859D+01  0.233203D+02 -0.104259D+02  0.853208D+01 -0.575575D+00
      5   0.246891D+02 -0.316064D+01 -0.544067D+01 -0.259070D+01 -0.643063D+01
      6   0.150180D+02 -0.150775D+01 -0.389411D+01  0.146323D+01  0.180339D+01
                31            32            33            34            35 
      1   0.929383D+02 -0.371558D+02 -0.528525D+01 -0.191670D+02  0.284285D+01
      2  -0.446440D+02  0.310186D+02  0.736175D+00  0.834802D+01 -0.262729D+01
      3  -0.482942D+02  0.613714D+01  0.454908D+01  0.108190D+02 -0.215563D+00
      4  -0.190109D+02  0.139745D+02  0.472521D-01  0.311460D+01 -0.127991D+01
      5   0.430611D+01 -0.190001D+01  0.944223D+00  0.133412D+01  0.244998D+01
      6  -0.267396D+01  0.836359D+00 -0.161372D+01  0.345141D+01  0.360512D+01
                36            37            38            39            40 
      1  -0.621263D+01 -0.899786D+02  0.552901D+02  0.439841D+00 -0.871604D+02
      2  -0.261284D+01  0.495844D+02 -0.370612D+02 -0.103539D+01  0.469690D+02
      3   0.882548D+01  0.403942D+02 -0.182290D+02  0.595553D+00  0.401913D+02
      4   0.260253D+01  0.540079D+02 -0.203102D+01 -0.353292D+01 -0.868435D+01
      5   0.233367D+01 -0.122414D+01 -0.231562D+01  0.214864D+00 -0.161855D+01
      6   0.142006D+01 -0.209964D+01 -0.109789D+01  0.125821D+01  0.410181D+01
                41            42            43            44            45 
      1  -0.190467D+01  0.675835D+01  0.153516D+02 -0.689513D+01 -0.124046D+02
      2   0.487530D+01 -0.494550D+01 -0.798743D+01  0.374954D+01 -0.399211D+00
      3  -0.297063D+01 -0.181285D+01 -0.736421D+01  0.314559D+01  0.128038D+02
      4  -0.569145D+01  0.154835D+01 -0.459582D+01  0.112904D+01  0.767062D+00
      5   0.300487D+01  0.370837D+00 -0.973899D+00 -0.162556D+01  0.196656D+01
      6  -0.330967D+01 -0.504047D+00  0.190574D+01  0.215453D+01  0.326554D+00
                46            47            48            49            50 
      1  -0.639762D+00 -0.559464D+02  0.274489D+01  0.176566D+01  0.269776D+02
      2  -0.440121D+01  0.373873D+02 -0.586217D+00 -0.535128D+01 -0.261196D+02
      3   0.504097D+01  0.185592D+02 -0.215867D+01  0.358562D+01 -0.857986D+00
      4  -0.412078D+02 -0.305899D+02  0.552164D+01  0.318339D+02 -0.144307D+02
      5  -0.917774D+00  0.611129D+01 -0.105473D+02 -0.196482D+01 -0.955763D+00
      6   0.540334D+01  0.181619D+01  0.656467D+01 -0.516261D-01  0.568795D+01
                51            52            53            54            55 
      1  -0.525070D+01 -0.219495D+01 -0.339035D+00 -0.201951D+02  0.171879D+02
      2   0.536179D+01  0.271639D+01  0.512120D+01  0.597490D+01 -0.125197D+02
      3  -0.111092D+00 -0.521443D+00 -0.478216D+01  0.142202D+02 -0.466813D+01
      4  -0.171605D+01 -0.623964D-01  0.436374D+01 -0.975404D+01  0.139201D+01
      5  -0.294466D+01  0.107708D+01 -0.116794D+02  0.629238D+01  0.684526D+01
      6   0.525035D+01  0.199822D+01  0.194393D+02 -0.404385D+01  0.191131D+01
                56            57            58            59            60 
      1  -0.526993D+02 -0.256513D+00  0.119564D+02  0.679001D+01 -0.402856D+01
      2   0.452829D+02 -0.322669D-01 -0.122379D+02 -0.161326D+02  0.499951D+01
      3   0.741645D+01  0.288780D+00  0.281478D+00  0.934259D+01 -0.970955D+00
      4  -0.757094D+01  0.136581D+01  0.452296D+01 -0.106443D+02  0.195728D+01
      5   0.416827D+01 -0.844018D+00 -0.211369D+01  0.147637D+01  0.135601D+01
      6   0.607884D+01  0.759344D+01  0.113805D+01  0.720451D+01  0.759731D+01
                61            62            63            64            65 
      1  -0.534934D+01  0.509271D+00 -0.228583D+02 -0.840270D+01  0.692623D+02
      2   0.553217D+01  0.317858D+01  0.130779D+02  0.819558D+00 -0.589048D+02
      3  -0.182835D+00 -0.368785D+01  0.978038D+01  0.758314D+01 -0.103575D+02
      4   0.107857D+01  0.543339D+01  0.589967D+01  0.101295D+02 -0.148290D+02
      5   0.431195D+01  0.104473D+01  0.199158D+01 -0.830192D+00 -0.502120D+01
      6   0.631085D+01  0.249492D+02 -0.412272D+01 -0.359291D+01 -0.544613D+00
                66            67            68            69            70 
      1  -0.457875D+01 -0.244224D+02  0.381588D+02 -0.578800D+01  0.981251D+01
      2   0.376480D+01  0.264318D+02 -0.415730D+02  0.310391D+01 -0.811169D+01
      3   0.813945D+00 -0.200941D+01  0.341418D+01  0.268409D+01 -0.170082D+01
      4  -0.299830D+00  0.125121D+02  0.127323D+02 -0.338779D+01 -0.421544D+01
      5   0.641104D+01  0.172952D+01 -0.583343D+01 -0.607831D+01  0.229695D+02
      6  -0.924751D+01 -0.702479D+01  0.112227D+01  0.468043D+01 -0.202943D+02
                71            72            73            74            75 
      1  -0.163608D+02 -0.125370D+02 -0.730488D+01  0.589754D+01  0.822398D+00
      2   0.136927D+02  0.272917D+01 -0.639362D+01 -0.898320D+01  0.228484D+01
      3   0.266803D+01  0.980779D+01  0.136985D+02  0.308566D+01 -0.310724D+01
      4  -0.103781D+01 -0.103228D+02  0.156973D+02  0.988427D+01 -0.219845D+01
      5  -0.719378D+01  0.489915D-01 -0.749332D+01 -0.145797D+01  0.286964D+01
      6   0.142132D+02  0.634493D+01  0.185878D+01 -0.253803D+01 -0.229661D+01
                76            77            78            79            80 
      1   0.313317D+02 -0.729195D+02  0.448896D+01  0.106251D+02  0.579090D+01
      2  -0.212052D+02  0.713872D+02 -0.608917D+01 -0.180588D+01 -0.703433D+01
      3  -0.101265D+02  0.153228D+01  0.160021D+01 -0.881925D+01  0.124343D+01
      4  -0.404998D+02 -0.375543D+01  0.214627D+01  0.640953D+01 -0.200886D+01
      5   0.592013D+01  0.419629D+01  0.327995D+01  0.286291D+02 -0.222081D+01
      6   0.428345D+01  0.261685D+01 -0.281870D+01 -0.652836D+01  0.420067D+01
                81            82            83            84            85 
      1  -0.330238D+01  0.579373D+02 -0.599211D+02 -0.654004D+00  0.691569D+01
      2  -0.790478D+01 -0.337400D+02  0.468701D+02 -0.197059D+01 -0.163491D+02
      3   0.112072D+02 -0.241974D+02  0.130510D+02  0.262459D+01  0.943344D+01
      4   0.381951D+01 -0.492733D+02 -0.233514D+00  0.426243D+01  0.218716D+02
      5  -0.368691D+01  0.485455D+01  0.402984D+01 -0.363911D+01 -0.267226D+01
      6   0.246607D+01  0.251424D+01  0.307896D+01 -0.188369D+00  0.153575D+01
                86            87            88            89            90 
      1   0.311055D+02 -0.112024D+01 -0.601703D+01  0.625222D+01 -0.862085D+01
      2  -0.349021D+02  0.469178D+01  0.319004D+01  0.485934D+00 -0.622987D+01
      3   0.379663D+01 -0.357154D+01  0.282699D+01 -0.673816D+01  0.148507D+02
      4  -0.430980D+01 -0.130309D+00  0.525543D+01  0.185793D+01  0.337648D+01
      5   0.414483D+00  0.557457D+01  0.266455D+01  0.910726D+01 -0.944370D+00
      6   0.110436D+01  0.292455D+01  0.205099D+01  0.705601D+01 -0.224445D+01
                91            92            93            94            95 
      1   0.216836D+02  0.100092D+02 -0.404686D+01  0.587004D+00 -0.124057D+02
      2  -0.148532D+02 -0.415179D+01 -0.436464D+01  0.940176D+01  0.203557D+01
      3  -0.683036D+01 -0.585742D+01  0.841150D+01 -0.998877D+01  0.103701D+02
      4  -0.691750D+00 -0.154195D+02 -0.264771D+01 -0.291510D+02  0.314866D+02
      5   0.327570D+01 -0.282877D+01 -0.112784D+02  0.457973D+01  0.582965D+01
      6  -0.396263D+01  0.330905D+01 -0.287874D+01  0.524966D+01 -0.541501D+01
                96            97            98            99           100 
      1  -0.461685D+01 -0.143899D+02 -0.353394D+01 -0.126456D+02 -0.100090D+02
      2  -0.583677D+01  0.242060D+01 -0.351189D+00  0.897104D+01  0.274837D+01
      3   0.104536D+02  0.119693D+02  0.388513D+01  0.367459D+01  0.726065D+01
      4   0.459319D+01 -0.311375D+01  0.633750D+00 -0.229658D+02  0.285724D+02
      5  -0.231227D+02 -0.500887D+02 -0.181604D+02  0.966815D+01 -0.899780D+00
      6  -0.376746D+01 -0.851887D+01 -0.377186D+01  0.347530D+01 -0.253274D+00
               101           102           103           104           105 
      1   0.358829D+02  0.223141D+01  0.583053D+01  0.996579D+01 -0.336456D+01
      2  -0.215043D+02  0.699647D+00  0.173609D+00 -0.385578D+01  0.235327D+01
      3  -0.143787D+02 -0.293106D+01 -0.600414D+01 -0.611001D+01  0.101129D+01
      4   0.544962D+01 -0.992917D-01  0.321652D+02  0.152874D+02 -0.391093D+01
      5  -0.176024D+00  0.262122D+02 -0.466977D+01 -0.245443D+01 -0.953176D+01
      6  -0.187990D+01 -0.504561D+01 -0.151823D+01  0.329372D-01  0.842569D+01
               106           107           108           109           110 
      1   0.195742D+01 -0.365547D+01  0.705121D+00 -0.737058D+02 -0.419159D+02
      2   0.576917D+00  0.301244D+01 -0.130181D+01  0.437606D+02  0.216532D+02
      3  -0.253434D+01  0.643027D+00  0.596686D+00  0.299452D+02  0.202627D+02
      4  -0.419437D+01 -0.656109D+00  0.704415D+01 -0.403596D+02  0.707062D+01
      5   0.100698D+02  0.554239D+01 -0.423988D+01  0.979463D+01  0.877963D+01
      6   0.295670D+01  0.398944D+01 -0.128489D+01  0.232764D+01 -0.152848D+01
               111           112           113           114           115 
      1   0.996673D+01 -0.537239D+02  0.415780D+01  0.181021D+02  0.976629D+01
      2  -0.604616D+01  0.266533D+02 -0.309144D+01 -0.869947D+01 -0.498437D+01
      3  -0.392057D+01  0.270706D+02 -0.106636D+01 -0.940261D+01 -0.478192D+01
      4   0.794761D+01 -0.199688D+02  0.253395D+02  0.923914D+01  0.102437D+02
      5  -0.816157D+01  0.136770D+02  0.887465D+01  0.683174D+02 -0.242378D+02
      6   0.162109D+01  0.529412D+00 -0.489157D+01 -0.194192D+02  0.985783D+01
               116           117           118           119           120 
      1   0.138418D+02  0.108820D+01  0.364145D+02 -0.140741D+02 -0.162755D+01
      2  -0.709925D+01 -0.300808D+01 -0.121070D+02  0.176290D+00  0.800283D+00
      3  -0.674260D+01  0.191987D+01 -0.243075D+02  0.138978D+02  0.827268D+00
      4   0.547299D+01  0.472377D+02 -0.325278D+02  0.262485D+02  0.235199D+00
      5   0.501889D+02 -0.158206D+02 -0.104071D+00 -0.977768D+00  0.351956D+01
      6  -0.152144D+02  0.108184D+00  0.325078D+00  0.103472D+00 -0.206625D+01
               121           122           123           124           125 
      1  -0.172882D+02  0.607208D+01  0.589883D-02 -0.239433D+01  0.383489D+00
      2  -0.335101D+01  0.146477D+02  0.818420D-01  0.206854D+01 -0.100725D+01
      3   0.206392D+02 -0.207198D+02 -0.877408D-01  0.325787D+00  0.623762D+00
      4   0.386189D+02 -0.436651D+02  0.653283D+00 -0.105777D+01  0.172648D+01
      5  -0.264846D+01  0.284154D+01 -0.526961D+01 -0.120638D+01 -0.185002D+01
      6   0.130441D+01 -0.128708D+01  0.454186D+01  0.441965D+00  0.186288D+01
               126           127           128           129           130 
      1  -0.117265D+01  0.391885D+01  0.829414D+01 -0.675981D+00  0.513602D+01
      2   0.148183D+01  0.351040D+01  0.128511D+01  0.364548D-01  0.743422D+01
      3  -0.309182D+00 -0.742925D+01 -0.957925D+01  0.639526D+00 -0.125702D+02
      4  -0.246590D+01  0.234948D+02  0.227121D+02 -0.362486D+01  0.300259D+02
      5   0.716221D+00 -0.215828D+01 -0.257149D+01  0.372035D+01 -0.277832D+01
      6  -0.528224D+00 -0.160904D+01 -0.191445D+01  0.227956D+01 -0.239397D+01
               131           132           133           134           135 
      1  -0.111078D+02  0.138690D+01 -0.411038D+00  0.271650D+00 -0.899646D+00
      2   0.281682D+02 -0.217409D+01 -0.475191D+00 -0.215448D+01  0.258997D+01
      3  -0.170604D+02  0.787195D+00  0.886228D+00  0.188283D+01 -0.169033D+01
      4   0.528751D+02 -0.639991D+01 -0.474567D+01 -0.725588D+01  0.340910D+01
      5  -0.399386D+01  0.666563D+01  0.311082D+01  0.160554D+01 -0.167124D+01
      6  -0.526596D+01  0.681074D+01  0.329988D+01  0.348160D+01 -0.198201D+01
               136           137           138           139           140 
      1  -0.727731D+01 -0.150406D+02  0.246051D+01 -0.729976D+01 -0.464532D+02
      2   0.752800D+01  0.144569D+02 -0.164352D+01  0.723605D+01  0.560604D+02
      3  -0.250684D+00  0.583751D+00 -0.816985D+00  0.637109D-01 -0.960718D+01
      4  -0.330825D+00  0.507407D+01 -0.641126D-01  0.269637D+01 -0.134571D+02
      5   0.464898D+00  0.381031D+00  0.717773D+00  0.106634D+00  0.382611D+01
      6  -0.136526D+01 -0.272939D+01  0.224932D+01 -0.968903D+00 -0.890222D+01
               141           142           143           144           145 
      1   0.541492D+01  0.165927D+01  0.652800D+01 -0.255957D+01 -0.580927D+01
      2  -0.478933D+01 -0.126685D+01 -0.638307D+01  0.294340D+01  0.960138D+01
      3  -0.625588D+00 -0.392416D+00 -0.144930D+00 -0.383830D+00 -0.379211D+01
      4   0.178911D+01  0.158094D+00  0.128824D+01  0.140791D+01  0.785777D+01
      5  -0.207587D+01  0.127380D+01  0.264272D+00 -0.139739D+00  0.149736D+00
      6   0.755175D+01  0.272024D+00  0.402051D+01 -0.195199D+01 -0.100388D+01
               146           147           148           149           150 
      1  -0.102744D+02  0.187245D+01 -0.768698D+01 -0.521863D+02  0.546149D+01
      2   0.157774D+02 -0.191742D+01  0.109520D+02  0.742136D+02 -0.636648D+01
      3  -0.550305D+01  0.449651D-01 -0.326504D+01 -0.220273D+02  0.904994D+00
      4   0.158591D+02 -0.154922D+01  0.943736D+01  0.207925D+02 -0.168769D+01
      5  -0.945329D-01  0.205708D+01 -0.209110D+00  0.115461D+01  0.128134D+01
      6  -0.202917D+01  0.273076D+01 -0.832285D+00 -0.556968D+01  0.860727D+01
               151           152           153           154           155 
      1   0.132857D+01  0.686781D+01 -0.244824D+01  0.232348D+01  0.529271D+01
      2  -0.183049D+01 -0.854962D+01  0.338039D+01  0.101467D+02 -0.157684D+02
      3   0.501914D+00  0.168182D+01 -0.932152D+00 -0.124702D+02  0.104757D+02
      4  -0.121583D+01 -0.331226D+01  0.237940D+01 -0.286216D+02  0.249295D+02
      5   0.137405D+00  0.204089D+01 -0.938156D+00 -0.150475D+01  0.323619D+00
      6  -0.292862D+00  0.442682D+01 -0.210288D+01  0.241851D+01 -0.202005D+01
               156           157           158           159           160 
      1   0.856418D-01  0.954734D+01 -0.198645D+02 -0.107034D+00 -0.168555D+01
      2   0.737487D-01 -0.222420D+02  0.366913D+02  0.683418D-01  0.188763D+01
      3  -0.159391D+00  0.126947D+02 -0.168267D+02  0.386925D-01 -0.202075D+00
      4   0.471836D+00  0.278366D+02 -0.341846D+02  0.228182D+00 -0.262086D+00
      5   0.344537D+01 -0.693988D+00  0.291108D+00 -0.363836D+01  0.410898D+00
      6  -0.356428D+01 -0.904723D+00  0.228869D+01  0.573149D+01  0.106814D+01
               161           162           163           164           165 
      1   0.138741D+01 -0.355150D+00  0.508377D+01  0.899816D+00  0.485579D+00
      2  -0.198289D+01  0.185900D+01 -0.233283D+01  0.230710D+00  0.178152D+00
      3   0.595482D+00 -0.150385D+01 -0.275095D+01 -0.113053D+01 -0.663731D+00
      4   0.110800D+01 -0.261496D+01  0.805113D+01  0.844288D+01 -0.691100D+00
      5  -0.231701D+01  0.364505D+00 -0.453135D+00 -0.115824D+01  0.301815D+01
      6   0.318760D+01 -0.632556D+00 -0.113243D+01 -0.107963D+01  0.129807D+01
               166           167           168           169           170 
      1  -0.306406D+01 -0.158518D+02  0.258316D+01  0.169522D+01  0.148847D+01
      2   0.504538D+01  0.189911D+02 -0.113078D+01 -0.793068D+00 -0.132184D+01
      3  -0.198132D+01 -0.313933D+01 -0.145238D+01 -0.902155D+00 -0.166631D+00
      4   0.117120D+02  0.164713D+02 -0.187573D+01 -0.385753D+00 -0.158291D+01
      5  -0.196656D+01 -0.139975D+01  0.325536D+01  0.375769D+01  0.841817D+00
      6  -0.268000D+01 -0.604372D+01  0.534298D+01  0.255233D+01  0.265901D+01
               171           172           173           174           175 
      1  -0.161724D+01  0.149605D+02 -0.132983D+02 -0.761706D+00 -0.176988D+02
      2   0.214697D+01 -0.259984D+01  0.389180D+01  0.840792D+00  0.498251D+01
      3  -0.529725D+00 -0.123607D+02  0.940655D+01 -0.790862D-01  0.127163D+02
      4   0.213107D+01 -0.230878D+02  0.190415D+02  0.270441D+01  0.245980D+02
      5   0.146802D+00 -0.389761D+01  0.363595D+01  0.812095D+01  0.609108D+01
      6  -0.105989D+01  0.426759D+01 -0.286072D+01 -0.638984D+00 -0.388926D+01
               176           177           178           179           180 
      1   0.567492D+01  0.633811D+00  0.243413D+00  0.106774D+01  0.369568D+01
      2   0.973104D+01  0.104331D+00  0.101098D+01 -0.129041D+01 -0.166736D+01
      3  -0.154060D+02 -0.738142D+00 -0.125439D+01  0.222675D+00 -0.202832D+01
      4  -0.420508D+02 -0.391324D+01  0.370629D+01 -0.312855D+01 -0.599602D+01
      5  -0.499622D+01 -0.771016D+01  0.116170D+02 -0.533828D+01 -0.312119D+01
      6   0.850557D+01  0.421003D+01 -0.213652D+01  0.547716D+01  0.218043D+01
               181           182           183           184           185 
      1  -0.839700D+02 -0.146137D+02  0.295068D+02 -0.913887D+01  0.221603D+02
      2   0.456029D+02  0.135233D+02 -0.419765D+01  0.391825D+01 -0.160231D+02
      3   0.383672D+02  0.109038D+01 -0.253092D+02  0.522062D+01 -0.613718D+01
      4  -0.170686D+02  0.122998D+02  0.602406D+01  0.176441D+02 -0.175331D+02
      5   0.399982D+02  0.791123D+01  0.115589D+02 -0.189060D+01 -0.531509D+01
      6   0.386287D+01 -0.787966D+01 -0.921729D+00 -0.891936D+01  0.102790D+02
               186           187           188           189           190 
      1   0.154784D+02  0.117407D+02  0.121879D+02  0.232628D+02 -0.189140D+02
      2   0.931347D+01  0.676228D+01  0.468306D+01 -0.173310D+01  0.197045D+02
      3  -0.247919D+02 -0.185030D+02 -0.168709D+02 -0.215297D+02 -0.790496D+00
      4   0.865474D+00 -0.487001D+01  0.147487D+01  0.259642D+02  0.152650D+02
      5   0.313673D+02  0.273135D+02  0.198789D+02 -0.748971D+01 -0.277662D+02
      6   0.179511D+01  0.527047D+01  0.126596D+01 -0.168386D+02  0.494161D+01
               191           192           193           194           195 
      1   0.674706D+01 -0.103505D+02  0.228232D+02  0.208473D+01  0.113514D+02
      2  -0.473390D+01  0.152108D+02 -0.250533D+02 -0.597421D+01 -0.158827D+02
      3  -0.201317D+01 -0.486034D+01  0.223005D+01  0.388948D+01  0.453127D+01
      4  -0.103235D+01  0.811472D+01  0.102059D+01 -0.428154D+01 -0.221735D+01
      5   0.875752D+01 -0.132405D+02  0.202163D+02 -0.453429D+01  0.334916D+02
      6  -0.557727D+01  0.559035D+01  0.781669D+00  0.100921D+01 -0.333192D+01
               196           197           198           199           200 
      1  -0.300051D+02  0.970816D+01 -0.545137D+01  0.190243D+03  0.226558D+02
      2   0.236777D+02 -0.974812D+01  0.167091D+02 -0.101297D+03 -0.126672D+02
      3   0.632742D+01  0.399584D-01 -0.112577D+02 -0.889465D+02 -0.998866D+01
      4   0.173597D+02 -0.196695D+02  0.249103D+02  0.217589D+02  0.162710D+02
      5  -0.157922D+02  0.232996D+02 -0.205903D+02 -0.201370D+02 -0.258150D+01
      6   0.863123D+01 -0.675122D+01  0.102290D+02 -0.259445D+00 -0.709278D+00
               201           202           203           204           205 
      1  -0.159496D+02  0.613426D+02  0.225668D+02 -0.603316D+01 -0.194189D+02
      2   0.962455D+01 -0.331455D+02 -0.117128D+02  0.379508D+01  0.120492D+02
      3   0.632502D+01 -0.281971D+02 -0.108539D+02  0.223807D+01  0.736970D+01
      4  -0.219766D+01  0.267534D+02  0.184051D+02 -0.383933D+01 -0.295038D+01
      5   0.186250D+02 -0.704959D+01 -0.406005D+01  0.482073D+01  0.270666D+02
      6  -0.494179D+00 -0.121298D+01 -0.704119D+00  0.191764D+01 -0.397646D+00
               206           207           208           209           210 
      1  -0.336609D+01  0.192067D+02  0.103175D+00 -0.562042D+01 -0.140308D+02
      2   0.218180D+01 -0.114259D+02 -0.389366D+00  0.309842D+01  0.620863D+01
      3   0.118430D+01 -0.778078D+01  0.286191D+00  0.252201D+01  0.782217D+01
      4  -0.338403D+01 -0.543569D+00 -0.274086D+01 -0.106772D+01  0.180034D+01
      5  -0.593388D+00 -0.612814D+01 -0.115636D+02  0.962605D+00 -0.230625D+01
      6   0.259727D+01 -0.572810D-01  0.310206D+01  0.875340D+00  0.191263D+01
               211           212           213           214           215 
      1  -0.137345D+02  0.285245D+00 -0.202024D+01 -0.290430D+02  0.508010D+00
      2   0.537317D+01  0.615626D+01  0.263441D+01  0.158395D+02  0.329278D+00
      3   0.836134D+01 -0.644150D+01 -0.614171D+00  0.132036D+02 -0.837287D+00
      4   0.257801D+02 -0.423600D+02 -0.273490D+02  0.183273D+02 -0.276637D+02
      5   0.139813D+02 -0.275246D+02 -0.334426D+02  0.267199D+02 -0.330939D+02
      6  -0.638596D+01  0.134476D+02  0.137443D+02 -0.855036D+01  0.138495D+02
               216           217           218           219           220 
      1  -0.184361D+01  0.152459D+02 -0.576460D+01  0.155943D+02 -0.125060D+02
      2  -0.480223D+01 -0.779021D+01  0.260601D+01 -0.735299D+01  0.420006D+01
      3   0.664584D+01 -0.745565D+01  0.315859D+01 -0.824132D+01  0.830594D+01
      4  -0.311468D+02 -0.638024D+01  0.292508D+01 -0.709896D+01  0.242050D+02
      5  -0.461981D+02  0.177816D+02 -0.647559D+01  0.452429D+01 -0.162485D+02
      6   0.154484D+02 -0.409337D+01  0.128357D+01  0.413951D-01  0.435613D+01
               221           222           223           224           225 
      1   0.700892D+01 -0.669314D+01  0.418404D+02 -0.108956D+02  0.919957D+01
      2   0.116980D+01  0.739069D+00 -0.225440D+02  0.373937D+01 -0.909127D+01
      3  -0.817872D+01  0.595407D+01 -0.192964D+02  0.715623D+01 -0.108303D+00
      4  -0.296079D+02  0.198620D+02 -0.240995D+02  0.244560D+02 -0.283377D+02
      5   0.209031D+02 -0.286901D+02  0.353752D+02 -0.309124D+02  0.616517D+02
      6  -0.662272D+01  0.985532D+01 -0.854062D+01  0.102649D+02 -0.134851D+02
               226           227           228           229           230 
      1  -0.183999D+01 -0.379747D+01 -0.192728D+02 -0.577045D+01 -0.112789D+02
      2  -0.348372D+01 -0.361299D+00 -0.569480D+00  0.376029D+01  0.906732D+00
      3   0.532371D+01  0.415877D+01  0.198423D+02  0.201016D+01  0.103721D+02
      4  -0.210624D+01 -0.371629D+01 -0.274176D+01 -0.213541D+01 -0.778818D+01
      5  -0.553661D+01 -0.214553D+00 -0.634932D+01  0.579205D+01 -0.761447D+01
      6   0.186249D+01  0.351323D+01  0.149385D+01  0.138826D+01  0.697666D+01
               231           232           233           234           235 
      1  -0.124452D+02 -0.109567D+02 -0.879915D+01 -0.358684D+02 -0.792461D+00
      2  -0.727049D+01  0.453189D+01 -0.393254D+01 -0.188768D+02  0.313742D+01
      3   0.197157D+02  0.642481D+01  0.127317D+02  0.547452D+02 -0.234496D+01
      4  -0.107393D+02 -0.107616D+01 -0.868707D+01 -0.133362D+02  0.456528D+01
      5  -0.212621D+02  0.638129D+01 -0.978062D+01 -0.435950D+02  0.761075D+00
      6   0.992158D+01  0.631011D+00  0.803812D+01  0.800587D+01 -0.312737D+01
               236           237           238           239           240 
      1   0.106830D+02 -0.566786D+01  0.120754D+02 -0.206810D+02  0.432625D+01
      2  -0.795491D+01 -0.436936D+00 -0.750986D+01  0.223953D+02 -0.415586D+00
      3  -0.272806D+01  0.610480D+01 -0.456557D+01 -0.171436D+01 -0.391066D+01
      4  -0.516279D+01  0.112821D+01  0.390112D+01  0.337231D+02 -0.729978D+01
      5  -0.161327D+01 -0.472628D+01 -0.787504D+01 -0.314328D+01  0.893353D+01
      6   0.535242D+01 -0.253767D+01  0.315578D+00 -0.217325D+02  0.896041D+01
               241           242           243           244           245 
      1   0.720337D+00  0.273871D+01 -0.843154D+01  0.118465D+03  0.110709D+02
      2  -0.225079D+01 -0.654532D+00  0.388573D+01 -0.681931D+02 -0.562422D+01
      3   0.153046D+01 -0.208418D+01  0.454581D+01 -0.502720D+02 -0.544665D+01
      4   0.113830D+01 -0.164205D+01  0.282266D+01  0.251399D+02  0.143781D+02
      5  -0.314669D+01  0.284589D+01  0.220930D+01 -0.660104D+02 -0.816588D+01
      6  -0.810842D+00  0.534769D+01 -0.169879D+01 -0.607015D+01 -0.496835D+01
               246           247           248           249           250 
      1  -0.228791D+02  0.795269D+01  0.897095D+01 -0.276002D+01 -0.767788D+01
      2   0.191677D+02 -0.318564D+01 -0.361557D+01  0.965429D-01  0.973342D+01
      3   0.371134D+01 -0.476705D+01 -0.535537D+01  0.266347D+01 -0.205554D+01
      4  -0.672700D+01  0.173180D+02  0.725726D+01 -0.486393D+01 -0.208477D+01
      5   0.301841D+02 -0.487088D+01 -0.683572D+01 -0.288348D+00  0.217356D+02
      6   0.380553D+01 -0.577599D+01 -0.304524D+01  0.308540D+01  0.268140D+01
               251           252           253           254           255 
      1  -0.179642D+01  0.100817D+02  0.704271D+02 -0.218699D+02  0.309916D+02
      2   0.372244D+00 -0.103435D+02 -0.453192D+02  0.128226D+02 -0.232329D+02
      3   0.142417D+01  0.261784D+00 -0.251079D+02  0.904734D+01 -0.775868D+01
      4  -0.173341D+01  0.708075D+00 -0.250460D+02  0.206413D+02 -0.813101D+01
      5   0.114401D+01 -0.124324D+02  0.516804D+02 -0.120103D+02  0.373526D+02
      6   0.171995D+01 -0.153400D+00 -0.717001D+01  0.703874D+01 -0.393079D+01
               256           257           258           259           260 
      1  -0.343518D+02  0.119014D+02 -0.650473D+01  0.410673D+02 -0.519017D+01
      2   0.240589D+02 -0.756847D+01  0.123821D+02 -0.370054D+02  0.106611D+02
      3   0.102929D+02 -0.433298D+01 -0.587734D+01 -0.406192D+01 -0.547097D+01
      4   0.258667D+02 -0.345750D+02  0.225315D+02 -0.140035D+02  0.271167D+02
      5  -0.256340D+02  0.228923D+02 -0.298759D+02  0.617648D+02 -0.242830D+02
      6   0.974425D+01 -0.137838D+02  0.144549D+02 -0.476149D+01  0.159744D+02
               261           262           263           264           265 
      1   0.125222D+02 -0.354678D+01  0.106107D+02 -0.173641D+00  0.937768D+01
      2  -0.384289D+02  0.554496D+01 -0.462589D+01  0.522572D+00 -0.866639D+00
      3   0.259066D+02 -0.199818D+01 -0.598476D+01 -0.348931D+00 -0.851105D+01
      4  -0.234716D+02  0.732262D+00 -0.644796D+00 -0.106657D+02  0.115821D+02
      5   0.716057D+02 -0.968366D+01 -0.711963D+01 -0.954896D+01 -0.639954D+01
      6  -0.123361D+02 -0.263357D+01 -0.537346D+01 -0.775774D+01 -0.432038D+01
               266           267           268           269           270 
      1  -0.108177D+02 -0.446161D+01 -0.811476D+01 -0.547078D+01 -0.747370D+01
      2   0.274556D+02  0.397783D+01  0.411626D+01  0.128687D+01  0.592463D+01
      3  -0.166380D+02  0.483778D+00  0.399850D+01  0.418391D+01  0.154906D+01
      4   0.307771D+02 -0.865469D+01 -0.188209D+02 -0.199401D+02 -0.151554D+02
      5  -0.859260D+01 -0.746446D+01 -0.161420D+02 -0.137210D+02 -0.331793D+02
      6   0.505389D+01  0.162735D+01 -0.111492D+02 -0.441449D+01 -0.148602D+02
               271           272           273           274           275 
      1   0.812731D+01  0.600956D+01  0.661818D+01  0.380091D+01 -0.220999D+01
      2  -0.399995D+01 -0.258991D+01 -0.410119D+01  0.205177D+00  0.503755D+01
      3  -0.412736D+01 -0.341965D+01 -0.251698D+01 -0.400608D+01 -0.282756D+01
      4   0.146636D+02  0.129641D+02  0.114187D+02  0.117070D+02  0.196400D+02
      5   0.132650D+02  0.101597D+02  0.144100D+02  0.759603D+01  0.109318D+02
      6   0.742552D+01  0.568048D+01  0.662206D+01  0.542476D+01  0.103566D+02
               276           277           278           279 
      1  -0.127683D+01  0.714147D+01 -0.131923D+01 -0.180559D+01
      2   0.231213D+01 -0.587692D+01  0.187096D+00 -0.567062D+01
      3  -0.103530D+01 -0.126456D+01  0.113214D+01  0.747622D+01
      4   0.117509D+02  0.191832D+02  0.250774D+02  0.259978D+02
      5   0.121271D+02  0.234913D+02  0.236603D+02  0.376013D+02
      6   0.907065D+01  0.121963D+02  0.166987D+02  0.213232D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128635D+01      0.326958D+01      0.109061D+02
   x          0.785317D+00      0.199608D+01      0.665820D+01
   y         -0.909047D+00     -0.231057D+01     -0.770722D+01
   z          0.460015D+00      0.116924D+01      0.390017D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183740D+03      0.272275D+02      0.302947D+02
   aniso      0.141738D+03      0.210033D+02      0.233694D+02
   xx         0.270360D+03      0.400631D+02      0.445763D+02
   yx        -0.156600D+02     -0.232057D+01     -0.258198D+01
   yy         0.167803D+03      0.248658D+02      0.276669D+02
   zx        -0.741308D+01     -0.109851D+01     -0.122225D+01
   zy        -0.446929D+01     -0.662280D+00     -0.736886D+00
   zz         0.113059D+03      0.167537D+02      0.186410D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.195506D+03      0.289709D+02      0.322345D+02
   aniso      0.151605D+03      0.224656D+02      0.249963D+02
   xx         0.287586D+03      0.426159D+02      0.474166D+02
   yx        -0.187951D+02     -0.278515D+01     -0.309889D+01
   yy         0.178752D+03      0.264883D+02      0.294722D+02
   zx        -0.802384D+01     -0.118901D+01     -0.132295D+01
   zy        -0.518258D+01     -0.767979D+00     -0.854492D+00
   zz         0.120178D+03      0.178086D+02      0.198148D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.75335576          1.98501129          3.69511908
     6          3.07281354          0.36052557          4.99247124
     6          4.23262703          2.71515831          1.25347388
     6          2.03700288          1.86505548          0.01517188
     6          0.33123038          0.22805073          1.31453043
     6          0.92371581         -0.48457216          3.81547876
     6          1.44118965          2.56875924         -2.49775421
     6         -0.71048013          1.70551346         -3.64224433
     6         -2.41986490          0.09442741         -2.36014214
     6         -1.87475247         -0.62281730          0.07274424
     6         -4.78465625         -0.80857364         -3.72124387
     8          6.92114707          2.90218532          4.73587398
     6          7.54762394          2.20076193          7.24295826
     1          3.46617440         -0.22304493          6.90735264
     1          5.54144705          3.95678366          0.29000863
     1         -0.35667870         -1.72777059          4.81811904
     1          2.72076872          3.80502658         -3.50908439
     1         -1.12765291          2.25557151         -5.56883230
     1         -3.13045948         -1.88293688          1.08285368
     1         -4.89233576          0.19394207         -5.51621761
     6         -7.21859209         -0.33599156         -2.22564878
     6         -4.45852275         -3.56168229         -4.46035206
     1          9.32653135          3.13960482          7.66225343
     1          7.79904654          0.15657394          7.41879616
     1          6.11147011          2.83171837          8.58919149
     1         -7.41593426          1.68082531         -1.85505838
     1         -7.20189090         -1.32842694         -0.42475833
     1         -8.86788853         -0.97029143         -3.28856086
     8         -3.82441436         -4.29400289         -6.51688590
     8         -4.92369910         -5.16892291         -2.52216892
     1         -4.59302439         -6.85939875         -3.14800340

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128635D+01      0.326958D+01      0.109061D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.128635D+01      0.326958D+01      0.109061D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183740D+03      0.272275D+02      0.302947D+02
   aniso      0.141738D+03      0.210033D+02      0.233694D+02
   xx         0.202455D+03      0.300008D+02      0.333804D+02
   yx         0.368575D+02      0.546172D+01      0.607698D+01
   yy         0.137206D+03      0.203318D+02      0.226222D+02
   zx         0.607678D+02      0.900485D+01      0.100193D+02
   zy         0.716465D+00      0.106169D+00      0.118129D+00
   zz         0.211560D+03      0.313500D+02      0.348815D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.195506D+03      0.289709D+02      0.322345D+02
   aniso      0.151605D+03      0.224656D+02      0.249963D+02
   xx         0.214653D+03      0.318083D+02      0.353915D+02
   yx         0.381232D+02      0.564928D+01      0.628567D+01
   yy         0.144705D+03      0.214431D+02      0.238587D+02
   zx         0.650638D+02      0.964146D+01      0.107276D+02
   zy         0.322712D+00      0.478210D-01      0.532080D-01
   zz         0.227158D+03      0.336614D+02      0.374533D+02

 ----------------------------------------------------------------------
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 0000006,-0.00000050,-0.00000028,-0.00000019,-0.00000039,-0.00000020,0.
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 000035,0.00000008,0.00000080,-0.00000027,-0.00000019,0.00000013,-0.000
 00047,0.00000012,-0.00000011,0.00000010,-0.00000031,0.00000008,-0.0000
 0082,0.00000005,-0.00000044,0.00000009,0.,-0.00000037,0.00000009,-0.00
 000027,-0.00000044,0.00000009,-0.00000010,-0.00000077,0.00000007,-0.00
 000020,0.00000071,-0.00000005,-0.00000019,-0.00000021,0.00000006,-0.00
 000010,0.00000032,0.,0.00000064,0.00000079,-0.00000002,0.00000077,0.00
 000026,0.00000094,-0.00000015,-0.00000050,0.00000025,0.,-0.00000023,0.
 00000036,0.,-0.00000066,0.00000062,-0.00000007,0.00000009,-0.00000017,
 0.00000003,-0.00000006,-0.00000002,-0.00000072,0.00000029,-0.00000007,
 -0.00000039,0.00000052,-0.00000067,-0.00000051,0.,-0.00000082,0.000000
 20,0.00000030,0.00000051\\\@


 MORNING PEOPLE ARE USUALLY ADMIRED AS EARLY BIRDS.
 RECALL BEN FRANKLIN'S APHORISM THAT THE EARLY BIRD GETS THE WORM.
 I IDENTIFY WITH THE WORM. --  CRAIG JAGGER, MINNEAPOLIS, KS.
 Job cpu time:       0 days 14 hours 38 minutes 54.6 seconds.
 Elapsed time:       0 days  1 hours 49 minutes 58.7 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep 29 13:19:02 2021.
